N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3-nitrobenzene-1-sulfonamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-8094 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 410.81 |
| Molecular Formula: | C16 H12 Cl F N4 O4 S |
| Smiles: | C(c1ccc(cc1[Cl])F)n1ccc(NS(c2cccc(c2)[N+]([O-])=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2413 |
| logD: | 0.808 |
| logSw: | -3.6097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.225 |
| InChI Key: | FYIOYUJLPNKESB-UHFFFAOYSA-N |