4-fluoro-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-fluoro-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide
4-fluoro-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide
Compound characteristics
Compound ID: | M071-0212 |
Compound Name: | 4-fluoro-N-[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]-3-methylbenzene-1-sulfonamide |
Molecular Weight: | 400.47 |
Molecular Formula: | C15 H13 F N2 O4 S3 |
Smiles: | Cc1cc(ccc1F)S(Nc1ccc2c(c1)sc(n2)S(C)(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9591 |
logD: | 2.3581 |
logSw: | -3.3435 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.132 |
InChI Key: | NJVDHGUHAFOQCJ-UHFFFAOYSA-N |