1-(4-chlorophenyl)sulfonyl-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide
Formula:C17H18N3O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)sulfonyl-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)sulfonyl-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C17H18N3O4ClS |
| Smiles | O=C(C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C17H18ClN3O4S/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-13(8-10-21)17(22)20-19-12-15-2-1-11-25-15/h1-6,11-13H,7-10H2,(H,20,22) |
| InChIK | ARLYVCKEGOCWTJ-UHFFFAOYSA-N |
| TotalMolweight | 395.866 |
| Molweight | 395.866 |
| MonoisotopicMass | 395.070654 |
| CLogP | 2.711 |
| CLogS | -3.856 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.02 |
| Relative PSA | 0.28858 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 8.5974 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-chlorophenyl)sulfonyl-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide | 2 - 1-(4-chlorophenyl)sulfonyl-N-[(Z)-furan-2-ylmethylideneamino]piperidine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off