N'-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Formula:C20H15N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H15N2O2F3S |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C20H15F3N2O2S/c21-20(22,23)16-10-7-11-17(14-16)24-19(15-8-3-1-4-9-15)25-28(26,27)18-12-5-2-6-13-18/h1-14H,(H,24,25) |
| InChIK | XBSLMHHPCSAQIN-UHFFFAOYSA-N |
| TotalMolweight | 404.411 |
| Molweight | 404.411 |
| MonoisotopicMass | 404.080632 |
| CLogP | 4.858 |
| CLogS | -4.998 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.25 |
| Relative PSA | 0.18072 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -11.966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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