N-{1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
N-{1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-6837 |
| Compound Name: | N-{1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C18 H17 F N4 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2F)n1)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8017 |
| logD: | 1.5419 |
| logSw: | -3.3831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.156 |
| InChI Key: | YZBLRWMVKGYURQ-UHFFFAOYSA-N |