N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C19H19N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H19N3O3Cl2S |
| Smiles | O=C(c1cc(S(N2CCCCC2)(=O)=O)ccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H19Cl2N3O3S/c20-17-8-7-14(11-18(17)21)13-22-23-19(25)15-5-4-6-16(12-15)28(26,27)24-9-2-1-3-10-24/h4-8,11-13H,1-3,9-10H2,(H,23,25) |
| InChIK | XNCBGXPHEFZDFF-UHFFFAOYSA-N |
| TotalMolweight | 440.35 |
| Molweight | 440.35 |
| MonoisotopicMass | 439.052416 |
| CLogP | 4.6204 |
| CLogS | -5.288 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.01 |
| Relative PSA | 0.21839 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.57216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| 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 | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off