N-[4-(4-methylphenyl)sulfonylphenyl]-3-(trifluoromethyl)benzamide
Formula:C21H16NO3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-(4-methylphenyl)sulfonylphenyl]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[4-(4-methylphenyl)sulfonylphenyl]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C21H16NO3F3S |
| Smiles | Cc(cc1)ccc1S(c(cc1)ccc1NC(c1cc(C(F)(F)F)ccc1)=O)(=O)=O |
| InChI | InChI=1S/C21H16F3NO3S/c1-14-5-9-18(10-6-14)29(27,28)19-11-7-17(8-12-19)25-20(26)15-3-2-4-16(13-15)21(22,23)24/h2-13H,1H3,(H,25,26) |
| InChIK | OWIXUZXAIJYSQV-UHFFFAOYSA-N |
| TotalMolweight | 419.422 |
| Molweight | 419.422 |
| MonoisotopicMass | 419.080298 |
| CLogP | 4.7045 |
| CLogS | -5.786 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.29 |
| Relative PSA | 0.1816 |
| PolarSurfaceArea | 71.62 |
| Druglikeness | -16.033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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