N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
Chemical Structure Depiction of
N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
Compound characteristics
| Compound ID: | D473-0276 |
| Compound Name: | N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C21 H20 N2 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(C(CNS(c1ccc2c(c1)OCO2)(=O)=O)c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0289 |
| logD: | 3.0246 |
| logSw: | -3.1277 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.131 |
| InChI Key: | ZIOSMLRUHJURMP-NRFANRHFSA-N |