Molecule ID: 3092268

IUPAC Name: 2-chloro-N-(2-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide

Description: The molecule is a member of the class of benzamides that is N-(2-nitrophenyl)benzamide substituted by a chloro group at position 2 and a piperidin-1-ylsulfonyl group at position 5. It is a member of benzamides, a C-nitro compound, a sulfonamide, a member of piperidines and a member of monochlorobenzenes.

SMILES: O=[N+]([O-])c1ccccc1N=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl

SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl]

InChI: InChI=1S/C18H18ClN3O5S/c19-15-9-8-13(28(26,27)21-10-4-1-5-11-21)12-14(15)18(23)20-16-6-2-3-7-17(16)22(24)25/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,23)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 3.8