N-(3-chlorophenyl)-N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
Formula:C22H26N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]benzenesulfonamide |
| MolecularFormula | C22H26N3O3ClS |
| Smiles | O=C(CN(c1cccc(Cl)c1)S(c1ccccc1)(=O)=O)NN/C1=C/CCCCCC1 |
| InChI | InChI=1S/C22H26ClN3O3S/c23-18-10-9-13-20(16-18)26(30(28,29)21-14-7-4-8-15-21)17-22(27)25-24-19-11-5-2-1-3-6-12-19/h4,7-11,13-16,24H,1-3,5-6,12,17H2,(H,25,27) |
| InChIK | QUVNRUVUOUNTNZ-UHFFFAOYSA-N |
| TotalMolweight | 447.985 |
| Molweight | 447.985 |
| MonoisotopicMass | 447.138339 |
| CLogP | 4.1444 |
| CLogS | -6.015 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 335.52 |
| Relative PSA | 0.20294 |
| PolarSurfaceArea | 86.89 |
| Druglikeness | -8.5542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-chlorophenyl)-N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]benzenesulfonamide | 2 - N-(3-chlorophenyl)-N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
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