4-(2-chlorobenzene-1-sulfonyl)-N-(3-methylbutyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-(2-chlorobenzene-1-sulfonyl)-N-(3-methylbutyl)-3-nitrobenzamide
4-(2-chlorobenzene-1-sulfonyl)-N-(3-methylbutyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2563 |
| Compound Name: | 4-(2-chlorobenzene-1-sulfonyl)-N-(3-methylbutyl)-3-nitrobenzamide |
| Molecular Weight: | 410.87 |
| Molecular Formula: | C18 H19 Cl N2 O5 S |
| Smiles: | CC(C)CCNC(c1ccc(c(c1)[N+]([O-])=O)S(c1ccccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.719 |
| logD: | 3.7189 |
| logSw: | -4.1324 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.346 |
| InChI Key: | WQMNJTSALKNETI-UHFFFAOYSA-N |