N(4)-acetylsulfadiazine (CHEBI:83458)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	N⁴-acetylsulfadiazine

ChEBI ID	CHEBI:83458

ChEBI ASCII Name	N(4)-acetylsulfadiazine

Definition	A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C12H12N4O3S

Net Charge

Average Mass

292.31400

Monoisotopic Mass

292.06301

InChI

InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)

InChIKey

NJIZUWGMNCUKGU-UHFFFAOYSA-N

SMILES

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

Roles Classification
Biological Role(s):	marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	N⁴-acetylsulfadiazine (CHEBI:83458) has role marine xenobiotic metabolite (CHEBI:83399) N⁴-acetylsulfadiazine (CHEBI:83458) is a acetamides (CHEBI:22160) N⁴-acetylsulfadiazine (CHEBI:83458) is a pyrimidines (CHEBI:39447) N⁴-acetylsulfadiazine (CHEBI:83458) is a sulfonamide (CHEBI:35358)

IUPAC Name

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

Synonyms	Sources
4-acetylamino-N-pyrimidin-2-yl-benzenesulfonamide	ChEBI
N(4)-Acetylsulfadiazine	ChemIDplus

Last Modified

07 November 2014

General Comment
2014-10-29	Metabolite of Sulfadiazin