N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4,6-trimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4,6-trimethylbenzene-1-sulfonamide
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4,6-trimethylbenzene-1-sulfonamide
Compound characteristics
Compound ID: | G529-0168 |
Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2,4,6-trimethylbenzene-1-sulfonamide |
Molecular Weight: | 402.94 |
Molecular Formula: | C21 H23 Cl N2 O2 S |
Smiles: | Cc1cc(C)c(c(C)c1)S(NCc1cccn1Cc1ccc(cc1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4817 |
logD: | 5.478 |
logSw: | -5.9963 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.067 |
InChI Key: | HINBMDAQQSWUEH-UHFFFAOYSA-N |