3-(7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
3-(7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-8513 |
| Compound Name: | 3-(7-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-sulfonyl)benzonitrile |
| Molecular Weight: | 362.76 |
| Molecular Formula: | C16 H8 Cl F N2 O3 S |
| Smiles: | C1=C(C(c2cc(c(cc2N1)[Cl])F)=O)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8194 |
| logD: | 1.5832 |
| logSw: | -3.9006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.915 |
| InChI Key: | CDMNRAGHBHTEHP-UHFFFAOYSA-N |