3-(benzenesulfonyl)-4-piperidin-1-ylquinoline
Formula:C20H20N2O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-4-piperidin-1-ylquinoline is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-4-piperidin-1-ylquinoline |
| MolecularFormula | C20H20N2O2S |
| Smiles | O=S(c1ccccc1)(c(cnc1ccccc11)c1N1CCCCC1)=O |
| InChI | InChI=1S/C20H20N2O2S/c23-25(24,16-9-3-1-4-10-16)19-15-21-18-12-6-5-11-17(18)20(19)22-13-7-2-8-14-22/h1,3-6,9-12,15H,2,7-8,13-14H2 |
| InChIK | HOQPYNBRMATVAD-UHFFFAOYSA-N |
| TotalMolweight | 352.457 |
| Molweight | 352.457 |
| MonoisotopicMass | 352.124548 |
| CLogP | 3.5138 |
| CLogS | -4.85 |
| H Acceptors | 4 |
| TotalSurfaceArea | 260.56 |
| Relative PSA | 0.16541 |
| PolarSurfaceArea | 58.65 |
| Druglikeness | -8.1069 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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