N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzene-1-sulfonamide
N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-7814 |
| Compound Name: | N-{1-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 377.35 |
| Molecular Formula: | C15 H12 F N5 O4 S |
| Smiles: | C(c1cccc(c1)F)n1cnc(NS(c2ccc(cc2)[N+]([O-])=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5379 |
| logD: | -0.4915 |
| logSw: | -2.9784 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.491 |
| InChI Key: | VGOQHEGJVXGLJW-UHFFFAOYSA-N |