1-[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]octahydroquinolin-4(1H)-one
Chemical Structure Depiction of
1-[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]octahydroquinolin-4(1H)-one
1-[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]octahydroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | 8013-1569 |
| Compound Name: | 1-[3-(4-chlorobenzene-1-sulfonyl)benzene-1-sulfonyl]octahydroquinolin-4(1H)-one |
| Molecular Weight: | 467.99 |
| Molecular Formula: | C21 H22 Cl N O5 S2 |
| Smiles: | C1CCC2C(C1)C(CCN2S(c1cccc(c1)S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8755 |
| logD: | 3.8755 |
| logSw: | -4.4813 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.685 |
| InChI Key: | MEHACQVQVAQTIV-UHFFFAOYSA-N |