N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | D473-0277 |
| Compound Name: | N-[2-(4-methylbenzene-1-sulfonyl)-2-(pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 474.55 |
| Molecular Formula: | C22 H22 N2 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(C(CNS(c1ccc2c(c1)OCCO2)(=O)=O)c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1684 |
| logD: | 2.1641 |
| logSw: | -2.4743 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.839 |
| InChI Key: | UEXMKOPRGMBKQZ-QFIPXVFZSA-N |