4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y031-7780 |
| Compound Name: | 4-methyl-3-nitro-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide |
| Molecular Weight: | 283.26 |
| Molecular Formula: | C9 H9 N5 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nn1cnnc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4931 |
| logD: | -0.22 |
| logSw: | -2.4507 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.959 |
| InChI Key: | DSPBFGYAKDUMDX-UHFFFAOYSA-N |