N'-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)benzenecarboximidamide
Formula:C19H13N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)benzenecarboximidamide |
| MolecularFormula | C19H13N2O2F3S |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc(ccc(F)c1F)c1F)=O |
| InChI | InChI=1S/C19H13F3N2O2S/c20-15-11-12-16(18(22)17(15)21)23-19(13-7-3-1-4-8-13)24-27(25,26)14-9-5-2-6-10-14/h1-12H,(H,23,24) |
| InChIK | WXRCOHDAIVXIEC-UHFFFAOYSA-N |
| TotalMolweight | 390.384 |
| Molweight | 390.384 |
| MonoisotopicMass | 390.064982 |
| CLogP | 4.3121 |
| CLogS | -5.162 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.84 |
| Relative PSA | 0.18756 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -7.2036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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