dimethyl 5-[(4-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(4-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(4-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4130-1651 |
| Compound Name: | dimethyl 5-[(4-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 394.36 |
| Molecular Formula: | C16 H14 N2 O8 S |
| Smiles: | COC(c1cc(cc(c1)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2082 |
| logD: | 2.3005 |
| logSw: | -3.7503 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.617 |
| InChI Key: | ILROLEFSIJBQNU-UHFFFAOYSA-N |