N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide
Formula:C20H13N2O3ClF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H13N2O3ClF4S |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c(cc1)ccc1F)/Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C20H13ClF4N2O3S/c21-14-3-11-18(12-4-14)31(28,29)27-19(13-1-5-15(22)6-2-13)26-16-7-9-17(10-8-16)30-20(23,24)25/h1-12H,(H,26,27) |
| InChIK | LAESJSIXUNYTFL-UHFFFAOYSA-N |
| TotalMolweight | 472.845 |
| Molweight | 472.845 |
| MonoisotopicMass | 472.027152 |
| CLogP | 5.8155 |
| CLogS | -6.293 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.02 |
| Relative PSA | 0.19415 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -9.3844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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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