(NZ)-N-(4-oxo-3-piperidin-1-ylnaphthalen-1-ylidene)benzenesulfonamide
Formula:C21H20N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(4-oxo-3-piperidin-1-ylnaphthalen-1-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(4-oxo-3-piperidin-1-ylnaphthalen-1-ylidene)benzenesulfonamide |
| MolecularFormula | C21H20N2O3S |
| Smiles | O=C(c1c2cccc1)C(N1CCCCC1)=C/C2=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C21H20N2O3S/c24-21-18-12-6-5-11-17(18)19(15-20(21)23-13-7-2-8-14-23)22-27(25,26)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2 |
| InChIK | ILLFMWGSZDVOBD-UHFFFAOYSA-N |
| TotalMolweight | 380.467 |
| Molweight | 380.467 |
| MonoisotopicMass | 380.119463 |
| CLogP | 3.4954 |
| CLogS | -4.451 |
| H Acceptors | 5 |
| TotalSurfaceArea | 279.13 |
| Relative PSA | 0.20306 |
| PolarSurfaceArea | 75.19 |
| Druglikeness | -6.1405 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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