N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzene-1-sulfonamide
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y502-8174 |
| Compound Name: | N-(1-benzyl-1H-1,2,4-triazol-3-yl)-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C15 H13 N5 O4 S |
| Smiles: | C(c1ccccc1)n1cnc(NS(c2cccc(c2)[N+]([O-])=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2543 |
| logD: | -0.9112 |
| logSw: | -2.9588 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.491 |
| InChI Key: | ILYQZNPTGBWBAJ-UHFFFAOYSA-N |