Molecule ID: 132146770

IUPAC Name: 4-(4-nitrosophenyl)sulfonylaniline

Description: The molecule is a sulfone that is a metabolite of dapsone in which one of the amino groups of dapsone has been oxidized to a nitroso group. It is a sulfone and a nitroso compound. It derives from a dapsone.

SMILES: Nc1ccc(S(=O)(=O)c2ccc(N=O)cc2)cc1

SELFIES: [N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][N][=O][C][=C][Ring1][Branch2][C][=C][Ring1][P]

InChI: InChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8H,13H2

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 1.0