1-[4-(4-methylbenzene-1-sulfonyl)-3-nitrophenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-methylbenzene-1-sulfonyl)-3-nitrophenyl]ethan-1-one
1-[4-(4-methylbenzene-1-sulfonyl)-3-nitrophenyl]ethan-1-one
Compound characteristics
| Compound ID: | 8017-1054 |
| Compound Name: | 1-[4-(4-methylbenzene-1-sulfonyl)-3-nitrophenyl]ethan-1-one |
| Molecular Weight: | 319.33 |
| Molecular Formula: | C15 H13 N O5 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9282 |
| logD: | 2.9282 |
| logSw: | -3.5646 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.646 |
| InChI Key: | MGWMPHWYXWFUTF-UHFFFAOYSA-N |