1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C19H19N3O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H19N3O3ClFS |
| Smiles | O=C(C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C19H19ClFN3O3S/c20-16-3-7-18(8-4-16)28(26,27)24-11-9-15(10-12-24)19(25)23-22-13-14-1-5-17(21)6-2-14/h1-8,13,15H,9-12H2,(H,23,25) |
| InChIK | ZOUBWZKLUOLDRC-UHFFFAOYSA-N |
| TotalMolweight | 423.895 |
| Molweight | 423.895 |
| MonoisotopicMass | 423.081967 |
| CLogP | 3.6231 |
| CLogS | -4.488 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.68 |
| Relative PSA | 0.22587 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 7.5704 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-(4-chlorophenyl)sulfonyl-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off