N-[2-(pyridin-3-yl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
Chemical Structure Depiction of
N-[2-(pyridin-3-yl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
N-[2-(pyridin-3-yl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
Compound characteristics
| Compound ID: | D473-0074 |
| Compound Name: | N-[2-(pyridin-3-yl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C18 H16 N2 O6 S3 |
| Smiles: | C(C(c1cccnc1)S(c1cccs1)(=O)=O)NS(c1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2759 |
| logD: | 2.268 |
| logSw: | -2.5731 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.149 |
| InChI Key: | ZUNXIVXOBRXBDQ-KRWDZBQOSA-N |