dimethyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8004-3317 |
| Compound Name: | dimethyl 5-[(4-chloro-3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 428.8 |
| Molecular Formula: | C16 H13 Cl N2 O8 S |
| Smiles: | COC(c1cc(cc(c1)NS(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6237 |
| logD: | 2.2003 |
| logSw: | -4.0776 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.316 |
| InChI Key: | YMIWWZYIUKWVDW-UHFFFAOYSA-N |