N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-cyanobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-cyanobenzene-1-sulfonamide
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-cyanobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L319-0085 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-cyanobenzene-1-sulfonamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C20 H13 N3 O2 S2 |
| Smiles: | C(c1cccc(c1)S(Nc1ccc(cc1)c1nc2ccccc2s1)(=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 4.5349 |
| logD: | 4.5287 |
| logSw: | -4.614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.393 |
| InChI Key: | BIRZPKPDFUGBFG-UHFFFAOYSA-N |