N'-(benzenesulfonyl)-4-chloro-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide
Formula:C20H14N2O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-4-chloro-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-4-chloro-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H14N2O3ClF3S |
| Smiles | O=S(c1ccccc1)(/N=C(/c(cc1)ccc1Cl)\Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C20H14ClF3N2O3S/c21-15-8-6-14(7-9-15)19(26-30(27,28)18-4-2-1-3-5-18)25-16-10-12-17(13-11-16)29-20(22,23)24/h1-13H,(H,25,26) |
| InChIK | SVGUSJGWFUUBGZ-UHFFFAOYSA-N |
| TotalMolweight | 454.855 |
| Molweight | 454.855 |
| MonoisotopicMass | 454.036574 |
| CLogP | 5.7147 |
| CLogS | -5.979 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.67 |
| Relative PSA | 0.19812 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -17.375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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