N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzamide
N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8013-0665 |
| Compound Name: | N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C23 H22 N2 O6 S |
| Smiles: | CC(C)c1c(cc(C)c(c1S(c1ccccc1)(=O)=O)O)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4858 |
| logD: | 4.483 |
| logSw: | -4.2448 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.993 |
| InChI Key: | SKDLEURRFWFESY-UHFFFAOYSA-N |