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

Basic Information

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CAS Number

918504-27-5

Molecular Formula

C17H14BrF2N3O3S

Molecular Weight

458.28 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

Boiling Point

634.2°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C17H14BrF2N3O3S/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

TVFGCDQPUZGXMQ-UHFFFAOYSA-N

LogP

3.9863000000000026

Topological Polar Surface Area

91.91999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

648

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfomide
N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-Propanesulfonamide
PROPANE-1-SULFONIC ACID [3-(5-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL)-2,4-DIFLUORO-PHENYL]-AMIDE
1-PropanesulfonaMide, N-[3-[(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-
AK120815
N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
C17H14BrF2N3O3S
TVFGCDQPUZGXMQ-UHFFFAOYSA-N
BCP12307
EBD701155
5505AC
ST2407366
AX82
B-Raf IN 11
N-[3-[(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide (ACI)
918504-27-5
HY-77113
LE-0047
ZINC72115182
DA-40549
AC-26960
propane-1-sulfonic acid [3-(5-bromo-1h-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]amide
1-Propanesulfonamide, N-(3-((5-bromo-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-
EC 806-749-7
CS-M1934
DTXSID30475207
Propane-1-sulfonic acid [3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]amide
propane-1-sulfonic acid [3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-amide
1-Propanesulfonamide, N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-
SY103178

MDL Number

MFCD18207768

FAQ

What are the physical and chemical properties of N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5)?

N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5) is a crystalline compound with a molecular weight of approximately 492.08 g/mol. It has low water solubility. The compound is reactive and can form complexes with various metals. It is stable under normal conditions but should be stored in a dry, cool, and well-ventilated area to prevent degradation.

How is N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5) typically synthesized?

N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5) can be synthesized through a multi-step process involving the coupling of 2,4-difluorophenyl propionyl chloride with 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl chloride, followed by the condensation of the resulting intermediate with propane-1-sulfonic acid. This process yields the target compound with high selectivity and good yield.

What industries use N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5)?

N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5) is primarily used in the pharmaceutical industry for its potential as a drug candidate. It is also of interest in the sensor technology and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5)?

When handling N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide (CAS: 918504-27-5), it is important to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be handled in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate spill kits, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.