N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
Chemical Structure Depiction of
N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
Compound characteristics
| Compound ID: | C366-0194 |
| Compound Name: | N-{3-[1-(ethanesulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C18 H20 N4 O6 S2 |
| Smiles: | CCS(N1C(CC(c2cccc(c2)NS(C)(=O)=O)=N1)c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.676 |
| logD: | 2.6528 |
| logSw: | -3.1675 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.766 |
| InChI Key: | JUOHYYXROUBDBJ-SFHVURJKSA-N |