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Acetylsulfathiazole

Acetylsulfathiazole structure

CAS No:
127-76-4
Formula:
C11H11N3O3S2
Chemical Name:
Acetylsulfathiazole
Synonyms:
Acetamide,N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-;Acetanilide,4′-(2-thiazolylsulfamoyl)-;N-[4-[(2-Thiazolylamino)sulfonyl]phenyl]acetamide;Acetylsulfathiazole;N4-Acetylsulfathiazole;N-Acetylsulfathiazole;2-(p-Acetamidobenzenesulfonamido)thiazole;Sulfathiazole,acetyl-;p-Acetylamino-N-(2-thiazolyl)benzenesulfonamide
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

ChEBI: A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole.

N(4)-acetylsulfathiazole is a sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of 1,3-thiazoles.

Acetylsulfathiazole Basic Attributes

Molecular Weight：

297.35334

Exact Mass：

297.35

EC Number：

204-864-1

UNII：

3VVR2DO782

ATC Code：

D06BA02

Characteristics

PSA：

125

XLogP3：

-0.1

Density：

1.4558 (rough estimate)

Melting Point：

256-257 °C

Refractive Index：

1.6740 (estimate)

Water Solubility：

>44.6 [ug/mL]

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Transformations：

N4-Acetylsulfathiazole has known transformation products that include Sulfathiazole.

Acetylsulfathiazole Use and Manufacturing

Use Classification：

Pharmaceuticals -> Dermatologicals -> Antibiotic and chemotherapeutics for dermatological use -> Chemotherapeutics for topical use -> Sulfonamides -> Transformation products

Computed Properties

Molecular Weight:297.4
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:297.02418357
Monoisotopic Mass:297.02418357
Topological Polar Surface Area:125
Heavy Atom Count:19
Complexity:413
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes