N-[3-nitro-5-(phenylsulfanyl)phenyl]-2,4,6-tri(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-[3-nitro-5-(phenylsulfanyl)phenyl]-2,4,6-tri(propan-2-yl)benzene-1-sulfonamide
N-[3-nitro-5-(phenylsulfanyl)phenyl]-2,4,6-tri(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8013-2315 |
| Compound Name: | N-[3-nitro-5-(phenylsulfanyl)phenyl]-2,4,6-tri(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 512.69 |
| Molecular Formula: | C27 H32 N2 O4 S2 |
| Smiles: | CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(Nc1cc(cc(c1)Sc1ccccc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2053 |
| logD: | 6.429 |
| logSw: | -5.8135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.998 |
| InChI Key: | MLPBBMYONSSEKN-UHFFFAOYSA-N |