N'-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide
Formula:C20H15N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H15N2O3F3S |
| Smiles | O=S(c1ccccc1)(/N=C(/c1ccccc1)\Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C20H15F3N2O3S/c21-20(22,23)28-17-13-11-16(12-14-17)24-19(15-7-3-1-4-8-15)25-29(26,27)18-9-5-2-6-10-18/h1-14H,(H,24,25) |
| InChIK | WWPSBVMEKFDNEA-UHFFFAOYSA-N |
| TotalMolweight | 420.41 |
| Molweight | 420.41 |
| MonoisotopicMass | 420.075547 |
| CLogP | 5.1087 |
| CLogS | -5.243 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.25 |
| Relative PSA | 0.20847 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -17.82 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off