CHEBI:83458 - N4-acetylsulfadiazine

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 0
Average Mass 292.31400
Monoisotopic Mass 292.063
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.
View more via ChEBI Ontology
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
Registry Numbers Types Sources
127-74-2 CAS Registry Number ChemIDplus
286028 Reaxys Registry Number Reaxys
Last Modified
07 November 2014
General Comment
2014-10-29 Metabolite of Sulfadiazin