Molecule ID: 49852397

IUPAC Name: 4-nitroso-N-pyrimidin-2-ylbenzenesulfonamide

Description: The molecule is a pyrimidine having a 4-nitrosobenzenesulfonamido group at the 2-position. It has a role as a drug metabolite and an allergen. It is a sulfonamide, a member of pyrimidines and a nitroso compound. It derives from a sulfanilamide.

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

SELFIES: [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/C10H8N4O3S/c15-13-8-2-4-9(5-3-8)18(16,17)14-10-11-6-1-7-12-10/h1-7H,(H,11,12,14)

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 0.0