1-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]piperidine-4-carboxamide
Formula:C21H19N3O3ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]piperidine-4-carboxamide |
| MolecularFormula | C21H19N3O3ClFS |
| Smiles | NC(C(CC1)CCN1c(c1cc(F)ccc1nc1)c1S(c(cc1)ccc1Cl)(=O)=O)=O |
| InChI | InChI=1S/C21H19ClFN3O3S/c22-14-1-4-16(5-2-14)30(28,29)19-12-25-18-6-3-15(23)11-17(18)20(19)26-9-7-13(8-10-26)21(24)27/h1-6,11-13H,7-10H2,(H2,24,27) |
| InChIK | DWUHVDFEEOIBKJ-UHFFFAOYSA-N |
| TotalMolweight | 447.917 |
| Molweight | 447.917 |
| MonoisotopicMass | 447.081967 |
| CLogP | 2.8158 |
| CLogS | -5.611 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.34 |
| Relative PSA | 0.23235 |
| PolarSurfaceArea | 101.74 |
| Druglikeness | 4.705 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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