1-(2,5-dimethylphenyl)-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
1-(2,5-dimethylphenyl)-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Compound characteristics
| Compound ID: | M071-0289 |
| Compound Name: | 1-(2,5-dimethylphenyl)-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C17 H18 N2 O4 S3 |
| Smiles: | Cc1ccc(C)c(CS(Nc2ccc3c(c2)sc(n3)S(C)(=O)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8906 |
| logD: | 3.5018 |
| logSw: | -3.8019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.759 |
| InChI Key: | SCSUHLUFBCVYNC-UHFFFAOYSA-N |