N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide
Compound characteristics
Compound ID: | Y205-8521 |
Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzene-1-sulfonamide |
Molecular Weight: | 393.81 |
Molecular Formula: | C15 H12 Cl N5 O4 S |
Smiles: | C(c1ccccc1[Cl])n1cnc(NS(c2cccc(c2)[N+]([O-])=O)(=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 2.907 |
logD: | -0.2585 |
logSw: | -3.535 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.491 |
InChI Key: | QDUPSUQUURZDMP-UHFFFAOYSA-N |