1-(2,5-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
1-(2,5-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Compound characteristics
| Compound ID: | M071-0523 |
| Compound Name: | 1-(2,5-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C19 H22 N2 O4 S3 |
| Smiles: | CCCS(c1nc2ccc(cc2s1)NS(Cc1cc(C)ccc1C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.996 |
| logD: | 4.6072 |
| logSw: | -4.6526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.047 |
| InChI Key: | VQBKTJIFLWTWQU-UHFFFAOYSA-N |