N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
Formula:C20H13N2O2ClF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C20H13N2O2ClF4S |
| Smiles | O=S(c(cc1)ccc1F)(/N=C(/c1ccccc1)\Nc(cc(C(F)(F)F)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H13ClF4N2O2S/c21-17-11-6-14(20(23,24)25)12-18(17)26-19(13-4-2-1-3-5-13)27-30(28,29)16-9-7-15(22)8-10-16/h1-12H,(H,26,27) |
| InChIK | PUQRRGAQTLBOHP-UHFFFAOYSA-N |
| TotalMolweight | 456.846 |
| Molweight | 456.846 |
| MonoisotopicMass | 456.032237 |
| CLogP | 5.5648 |
| CLogS | -6.048 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.02 |
| Relative PSA | 0.1679 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -6.9052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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