(NE)-4-chloro-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide
Formula:C18H18N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-chloro-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-4-chloro-N-[(4-fluorophenyl)-piperidin-1-ylmethylidene]benzenesulfonamide |
| MolecularFormula | C18H18N2O2ClFS |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c(cc1)ccc1F)/N1CCCCC1)=O |
| InChI | InChI=1S/C18H18ClFN2O2S/c19-15-6-10-17(11-7-15)25(23,24)21-18(22-12-2-1-3-13-22)14-4-8-16(20)9-5-14/h4-11H,1-3,12-13H2 |
| InChIK | DHNFCEYDQLEIJN-UHFFFAOYSA-N |
| TotalMolweight | 380.87 |
| Molweight | 380.87 |
| MonoisotopicMass | 380.076153 |
| CLogP | 4.4073 |
| CLogS | -4.357 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.94 |
| Relative PSA | 0.16048 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 1.5217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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