4-(3-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-(3-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
4-(3-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2527 |
| Compound Name: | 4-(3-chlorobenzene-1-sulfonyl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C21 H17 Cl N2 O6 S |
| Smiles: | COc1ccccc1CNC(c1ccc(c(c1)[N+]([O-])=O)S(c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2416 |
| logD: | 4.2406 |
| logSw: | -4.5596 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.864 |
| InChI Key: | GRQGLPVNHSSFIC-UHFFFAOYSA-N |