Molecule ID: 5503

IUPAC Name: 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea

Description: The molecule is an N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus. It has a role as a hypoglycemic agent and a potassium channel blocker.

SMILES: Cc1ccc(S(=O)(=O)NC(O)=NN2CCCCCC2)cc1

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

InChI: InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)

Molecular Properties:
- Polar Surface Area: 86.9 Ų
- LogP: 1.5