4-(3-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-(3-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
4-(3-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2682 |
| Compound Name: | 4-(3-chlorobenzene-1-sulfonyl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C21 H17 Cl N2 O6 S |
| Smiles: | COc1ccc(CNC(c2ccc(c(c2)[N+]([O-])=O)S(c2cccc(c2)[Cl])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0027 |
| logD: | 4.0026 |
| logSw: | -4.5196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.777 |
| InChI Key: | DKMFFGQCMZXLPR-UHFFFAOYSA-N |