N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzene-1-sulfonamide
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-8168 |
| Compound Name: | N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Smiles: | Cc1c(CNS(c2cccc(c2)[N+]([O-])=O)(=O)=O)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.968 |
| logD: | 2.8913 |
| logSw: | -3.5603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.796 |
| InChI Key: | JESBNCXSBZDBRU-UHFFFAOYSA-N |