N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-7421 |
| Compound Name: | N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C17 H16 N4 O4 S |
| Smiles: | Cc1cccc(Cn2cc(cn2)NS(c2ccc(cc2)[N+]([O-])=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1919 |
| logD: | 1.5511 |
| logSw: | -3.3558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.775 |
| InChI Key: | DFBCQURIJNGZEM-UHFFFAOYSA-N |