N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide

Basic Information

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CAS Number

918505-84-7

Molecular Formula

C17H14ClF2N3O3S

Molecular Weight

413.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.55

SMILES

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CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F

InChI

InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)

InChIKey

YZDJQTHVDDOVHR-UHFFFAOYSA-N

LogP

3.877200000000002

Topological Polar Surface Area

91.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

648

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide
N-(3-(5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
PLX 4720
PLX-4720
PLX-4720 (PLX4720, PLX 4720)
PLX 4720,PLX-4720
PLX4720
EQY31RO8HA
N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
AK162149
C17H14ClF2N3O3S
N-[3-({5-chloro-
N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide (ACI)
HMS3265I09
HMS3265J09
CS-0094
N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
AS-19376
HMS3265I10
NS00072361
NCGC00187911-01
BRD-K16478699-001-01-9
Q27088418
HY-51424
EX-A186
DTXSID10238711
HMS3244C04
NSC-757438
s1152
NCGC00187911-06

MDL Number

MFCD14635203

FAQ

What are the physical and chemical properties of N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7)?

N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide is a crystalline solid with a molecular weight of approximately 461.17 g/mol. It has low water solubility but is soluble in polar organic solvents. The compound is moderately reactive, showing susceptibility to nucleophilic substitution and hydrolysis under certain conditions.

How is N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7) typically synthesized?

N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide is typically synthesized through a multi-step process involving carbonylation, alkylation, and sulfonamidation reactions. The synthesis involves the use of appropriate catalysts and solvents to achieve high selectivity and yield. Specific details of the reaction conditions and reagents are proprietary.

What industries use N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7)?

N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide is primarily used in the pharmaceutical industry for its biological activity. It may also find applications in polymer synthesis and as a chemical intermediate in various other industries due to its functional groups and unique molecular structure.

What precautions should be taken when handling N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7)?

When handling N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a fume hood and use proper ventilation. In case of a spill, neutralize the material with appropriate agents and dispose of according to local regulations. Always consult the safety data sheet (SDS) for detailed handling and disposal instructions.

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Compound Q&A

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N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide | CAS No. 918505-84-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Density

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7)?

How is N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7) typically synthesized?

What industries use N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7)?

What precautions should be taken when handling N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918505-84-7)?

Related Compounds

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Supplier Information

Hubei Hanwei Chemical Co., Ltd.

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Shanghai Yuansi Biotechnology Co., Ltd.

TaiZhouShiKeRuiShengWuJiShu Co Ltd

HuBeiGuoYunFuRui Technology Co Ltd

Shanghai Aladdin Bio-Technologies Co., Ltd.

Shanghai Mofu Medicine Technology Co., Ltd.

ShangHaiZhiHuaHuaXue Technology Co Ltd

Shanghai SameSharp Biotechnology Co., Ltd.

WuHanXingYiAiKeShengWu Pharmaceutical Co Ltd

ShangHaiMaiRuiErShengHua Technology Co Ltd

Jin Jinle (Hunan) Chemical Co., Ltd.

Hangzhou Yaorieyicheng Biopharmaceutical Co., Ltd.

ShangHaiJiZhiShengHua Technology Co Ltd

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