2-chloro-N-(4-fluorophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C17H12N2O2ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-(4-fluorophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | 2-chloro-N-(4-fluorophenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C17H12N2O2ClFS2 |
| Smiles | O=S(c1cccs1)(/N=C(/c(cccc1)c1Cl)\Nc(cc1)ccc1F)=O |
| InChI | InChI=1S/C17H12ClFN2O2S2/c18-15-5-2-1-4-14(15)17(20-13-9-7-12(19)8-10-13)21-25(22,23)16-6-3-11-24-16/h1-11H,(H,20,21) |
| InChIK | QQKVCZMZETXVGV-UHFFFAOYSA-N |
| TotalMolweight | 394.877 |
| Molweight | 394.877 |
| MonoisotopicMass | 394.001273 |
| CLogP | 4.7056 |
| CLogS | -5.187 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.5 |
| Relative PSA | 0.26293 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | 1.1174 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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