N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2-fluorobenzamide
N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | D715-2122 |
| Compound Name: | N-[3-(benzenesulfonyl)-4,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C22 H21 F N2 O3 S |
| Smiles: | Cc1c(c(NC(c2ccccc2F)=O)n(CC=C)c1C)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8783 |
| logD: | 3.3371 |
| logSw: | -4.0732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.45 |
| InChI Key: | POBDPQMIULGHBM-UHFFFAOYSA-N |