dimethyl 5-[(2-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(2-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(2-nitrobenzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 2022-2652 |
| Compound Name: | dimethyl 5-[(2-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(c1ccccc1[N+]([O-])=O)(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8109 |
| logD: | 2.4662 |
| logSw: | -3.6063 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.316 |
| InChI Key: | QFKKGEUZMVZHFB-UHFFFAOYSA-N |