N-(2-chlorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
N-(2-chlorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Compound characteristics
Compound ID: | K781-9158 |
Compound Name: | N-(2-chlorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide |
Molecular Weight: | 444.91 |
Molecular Formula: | C22 H18 Cl F N2 O3 S |
Smiles: | C1CN(Cc2ccccc12)S(c1ccc(c(c1)C(Nc1ccccc1[Cl])=O)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7384 |
logD: | 4.571 |
logSw: | -4.931 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.005 |
InChI Key: | CITYPDPWBJXXJR-UHFFFAOYSA-N |