N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenoxy)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenoxy)benzene-1-sulfonamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenoxy)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8015-2276 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-(4-nitrophenoxy)benzene-1-sulfonamide |
| Molecular Weight: | 439.4 |
| Molecular Formula: | C20 H13 N3 O7 S |
| Smiles: | C1Oc2cc(C#N)c(cc2O1)NS(c1ccc(cc1)Oc1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3542 |
| logD: | 2.7209 |
| logSw: | -4.4279 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.491 |
| InChI Key: | FBQMHLHMADDFES-UHFFFAOYSA-N |