N-{4-chloro-1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-chloro-1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitrobenzene-1-sulfonamide
N-{4-chloro-1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-7422 |
| Compound Name: | N-{4-chloro-1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 410.81 |
| Molecular Formula: | C16 H12 Cl F N4 O4 S |
| Smiles: | C(c1cccc(c1)F)n1cc(c(NS(c2ccc(cc2)[N+]([O-])=O)(=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3903 |
| logD: | -0.7903 |
| logSw: | -3.6532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.191 |
| InChI Key: | GERKRDUCFVNKQW-UHFFFAOYSA-N |