Molecule ID: 64952

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

Description: The molecule is 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. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of pyrimidines.

SMILES: CC(O)=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

SELFIES: [C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S]

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)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -0.2