N-{[5-amino-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-fluoro-3-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-amino-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-fluoro-3-methylbenzene-1-sulfonamide
N-{[5-amino-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-fluoro-3-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C908-0175 |
| Compound Name: | N-{[5-amino-1-(4-fluoro-3-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-fluoro-3-methylbenzene-1-sulfonamide |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C17 H17 F2 N5 O4 S2 |
| Smiles: | Cc1cc(ccc1F)S(NCc1nc(N)n(n1)S(c1ccc(c(C)c1)F)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3695 |
| logD: | 2.3413 |
| logSw: | -2.943 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.874 |
| InChI Key: | XFLVZPVEPGTKGT-UHFFFAOYSA-N |