1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S553-0278 |
| Compound Name: | 1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]ethan-1-one |
| Molecular Weight: | 263.31 |
| Molecular Formula: | C13 H13 N O3 S |
| Smiles: | CC(c1cccn1S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6851 |
| logD: | 2.6851 |
| logSw: | -2.9327 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.915 |
| InChI Key: | MYLYBCZMJRPTEU-UHFFFAOYSA-N |