N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]benzenesulfonamide
Formula:C20H23N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H23N3O4S |
| Smiles | O=C(COc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1)N1CCCCC1 |
| InChI | InChI=1S/C20H23N3O4S/c24-20(23-13-5-2-6-14-23)16-27-18-11-9-17(10-12-18)15-21-22-28(25,26)19-7-3-1-4-8-19/h1,3-4,7-12,15,22H,2,5-6,13-14,16H2 |
| InChIK | MVOBTBBEOGBCJP-UHFFFAOYSA-N |
| TotalMolweight | 401.486 |
| Molweight | 401.486 |
| MonoisotopicMass | 401.140927 |
| CLogP | 2.6903 |
| CLogS | -2.295 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.93 |
| Relative PSA | 0.25626 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -2.8358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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