2-benzylsulfonyl-N-[2-(trifluoromethyl)phenyl]acetamide
Formula:C16H14NO3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfonyl-N-[2-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | 2-benzylsulfonyl-N-[2-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C16H14NO3F3S |
| Smiles | O=C(CS(Cc1ccccc1)(=O)=O)Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H14F3NO3S/c17-16(18,19)13-8-4-5-9-14(13)20-15(21)11-24(22,23)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21) |
| InChIK | FJXNAMATHSVWJI-UHFFFAOYSA-N |
| TotalMolweight | 357.351 |
| Molweight | 357.351 |
| MonoisotopicMass | 357.064648 |
| CLogP | 2.3723 |
| CLogS | -4.135 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.79 |
| Relative PSA | 0.21421 |
| PolarSurfaceArea | 71.62 |
| Druglikeness | -13.815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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