N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 8014-9827 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C19 H17 N3 O5 S |
| Smiles: | C1CCN(C1)S(c1cccc(c1)C(Nc1cc2c(cc1C#N)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4733 |
| logD: | 1.5345 |
| logSw: | -3.1647 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.881 |
| InChI Key: | VXJNQAMWJKKEGS-UHFFFAOYSA-N |