N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzene-1-sulfonamide
N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8013-0697 |
| Compound Name: | N-[3-(benzenesulfonyl)-4-hydroxy-5-methyl-2-(propan-2-yl)phenyl]-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 490.55 |
| Molecular Formula: | C22 H22 N2 O7 S2 |
| Smiles: | CC(C)c1c(cc(C)c(c1S(c1ccccc1)(=O)=O)O)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1669 |
| logD: | 3.6762 |
| logSw: | -4.1853 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.552 |
| InChI Key: | UWWOPKZUXITYPG-UHFFFAOYSA-N |