1-(benzenesulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
Formula:C19H20N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(benzenesulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-(benzenesulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide |
| MolecularFormula | C19H20N3O3ClS |
| Smiles | O=C(C(CC1)CCN1S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H20ClN3O3S/c20-17-8-6-15(7-9-17)14-21-22-19(24)16-10-12-23(13-11-16)27(25,26)18-4-2-1-3-5-18/h1-9,14,16H,10-13H2,(H,22,24) |
| InChIK | DQXNDMAIVMGTBU-UHFFFAOYSA-N |
| TotalMolweight | 405.905 |
| Molweight | 405.905 |
| MonoisotopicMass | 405.091389 |
| CLogP | 3.5223 |
| CLogS | -4.174 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.33 |
| Relative PSA | 0.23072 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 1.2918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 1-(benzenesulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide | 2 - 1-(benzenesulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
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