dimethyl 5-[(3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(3-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y032-3426 |
| Compound Name: | dimethyl 5-[(3-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(c1cccc(c1)[N+]([O-])=O)(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0467 |
| logD: | 2.0175 |
| logSw: | -3.5988 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.617 |
| InChI Key: | VJIXVIWISPIZMW-UHFFFAOYSA-N |