4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide

Basic Information

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CAS Number

2447-57-6

Molecular Formula

C12H14N4O4S

Molecular Weight

310.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

Basic Physical Properties

Melting Point

196.0 to 200.0 deg-C

Boiling Point

522.8°C at 760 mmHg

Flash Point

270

Solubility

Soluble in ethanol & ammonium hydroxide (9:1) at 20mg/ml

Refractive Index

1.6270 (estimate)

SMILES

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COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey

PJSFRIWCGOHTNF-UHFFFAOYSA-N

LogP

0.8768

Topological Polar Surface Area

116.43 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

420

Safety Information

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Hazard Statement

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

Toxicity

LD50 in mice (microcrystals, mg/kg): 5200 orally, 2900 s.c., 2900 i.p. (Bhni)

Synonyms & References

English

HMS2094C19
4-azanyl-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
N1-5,6-Dimethoxy-4-pyrimidinylsulfanilamide
DTXCID703608
Tox21_110523
BRD-K55250441-001-06-4
D00580
WR 4873
Sulfadoxinum [INN-Latin]
CHEBI:9329
6-(4-Aminobenzenesulfonamido)-4,5-dimethoxypyrimidine
88463U4SM5
Prestwick0_001094
Prestwick2_001094
GTPL10173
AKOS015897281
SPBio_003054
WR-4073
Sulfadoxin, VETRANAL(TM), analytical standard
CCG-213610
Sulfadoxine (Sulphadoxine)
SULFADOXINUM [WHO-IP LATIN]
NCGC00016612-05
KS-5334
Sulfadoxine, European Pharmacopoeia (EP) Reference Standard
EINECS 219-504-9
HMS2098K10
AB00514044
Q411557
4-Sulfanilamido-5,6-dimethoxypyrimidine
HMS2090P07

MDL Number

MFCD00792890

Customs Code

2935009090

FAQ

What is 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6)?

4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6) is a chemical compound containing a sulfonamide group and a pyrimidine ring with dimethoxy substituents. Its molecular formula is C13H15N5O4S, and it is known for its aromatic structure and potential pharmacological activity. The compound is commonly used as an intermediate in pharmaceutical research due to its functional groups, which may contribute to biological interactions.

What are the main uses of 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6)?

4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6) is primarily utilized in pharmaceutical research as a potential drug candidate. It serves as an intermediate in the synthesis of compounds targeting metabolic disorders and infectious diseases. Additionally, it may find applications in chemical synthesis and industrial processes requiring functionalized aromatic sulfonamides.

Is 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6) safe?

4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6) is generally considered safe when handled properly in controlled environments. It may cause skin or eye irritation, so protective measures like gloves and safety goggles are recommended. Safety data sheets (SDS) should be consulted for specific handling guidelines, and it is not intended for human or animal consumption without proper evaluation.

How should 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6) be stored?

4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide (CAS: 2447-57-6) should be stored in a cool, dry place away from light. It requires a sealed container to prevent moisture exposure, which can affect its stability. Maintain storage conditions below 25°C and ensure humidity levels are low to preserve chemical integrity and prolong shelf life.