N'-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzenecarboximidamide
Formula:C20H14N2O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H14N2O2F4S |
| Smiles | O=S(c(cc1)ccc1F)(/N=C(\c1ccccc1)/Nc1c(C(F)(F)F)cccc1)=O |
| InChI | InChI=1S/C20H14F4N2O2S/c21-15-10-12-16(13-11-15)29(27,28)26-19(14-6-2-1-3-7-14)25-18-9-5-4-8-17(18)20(22,23)24/h1-13H,(H,25,26) |
| InChIK | MNYGQZFZKMVPCA-UHFFFAOYSA-N |
| TotalMolweight | 422.401 |
| Molweight | 422.401 |
| MonoisotopicMass | 422.07121 |
| CLogP | 4.9588 |
| CLogS | -5.312 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.6 |
| Relative PSA | 0.17678 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -7.9719 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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