(4-chlorophenyl)methyl (E)-N-(2,4-difluorophenyl)sulfonylbenzenecarboximidothioate
Formula:C20H14NO2ClF2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl)methyl (E)-N-(2,4-difluorophenyl)sulfonylbenzenecarboximidothioate is a drug-like molecule.
| MolName | (4-chlorophenyl)methyl (E)-N-(2,4-difluorophenyl)sulfonylbenzenecarboximidothioate |
| MolecularFormula | C20H14NO2ClF2S2 |
| Smiles | O=S(c(ccc(F)c1)c1F)(/N=C(\c1ccccc1)/SCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H14ClF2NO2S2/c21-16-8-6-14(7-9-16)13-27-20(15-4-2-1-3-5-15)24-28(25,26)19-11-10-17(22)12-18(19)23/h1-12H,13H2 |
| InChIK | SXONEZBZDKXDQY-UHFFFAOYSA-N |
| TotalMolweight | 437.917 |
| Molweight | 437.917 |
| MonoisotopicMass | 437.012252 |
| CLogP | 4.9971 |
| CLogS | -6.973 |
| H Acceptors | 3 |
| TotalSurfaceArea | 303.7 |
| Relative PSA | 0.18959 |
| PolarSurfaceArea | 80.18 |
| Druglikeness | 1.4473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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