N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzene-1-sulfonamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8004-4898 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C17 H16 N4 O5 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2443 |
| logD: | -4.817 |
| logSw: | -2.4324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.651 |
| InChI Key: | JBFWEZSOVJMTCW-UHFFFAOYSA-N |