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Acetylsulfapyridine

Acetylsulfapyridine structure

CAS No:
19077-98-6
Formula:
C13H13N3O3S
Chemical Name:
Acetylsulfapyridine
Synonyms:
Acetamide,N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-;Acetanilide,4′-(2-pyridylsulfamoyl)-;N-[4-[(2-Pyridinylamino)sulfonyl]phenyl]acetamide;N4-Acetylsulfapyridine;Acetylsulfapyridine
Categories:
Organic Chemistry > Amides

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Description

White Solid

N4-Acetylsulfapyridine is a sulfonamide.

Acetylsulfapyridine Basic Attributes

Molecular Weight：

291.32562

Exact Mass：

291.33

EC Number：

242-802-5

UNII：

3CM4B5MZJP

DSSTox ID：

DTXSID5066453

Characteristics

PSA：

96.5

XLogP3：

-0.1

Density：

1.3362 (rough estimate)

Melting Point：

190-227.5 °C

Refractive Index：

1.6740 (estimate)

Water Solubility：

1.92e-04 M

Storage Conditions：

Refrigerator

Safety Information

wgk germany：

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

Sulfapyridine, N-acetyl is a known human metabolite of Sulfapyridine.

MeSH Entry Terms：

N-acetylsulfapyridine

Acetylsulfapyridine Use and Manufacturing

Uses

A major active metabolite related to the adverse effects of Sulfasalazine in human serum.

Manufacturing Info：

Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-: INACTIVE

Computed Properties

Molecular Weight:291.33
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:291.06776246
Monoisotopic Mass:291.06776246
Topological Polar Surface Area:96.5
Heavy Atom Count:20
Complexity:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes