2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide
Formula:C21H18N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide |
| MolecularFormula | C21H18N3O4ClS |
| Smiles | O=C(COc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C21H18ClN3O4S/c22-17-5-4-6-18(13-17)24-21(26)15-29-19-11-9-16(10-12-19)14-23-25-30(27,28)20-7-2-1-3-8-20/h1-14,25H,15H2,(H,24,26) |
| InChIK | WDGFEGWWPXHNAI-UHFFFAOYSA-N |
| TotalMolweight | 443.91 |
| Molweight | 443.91 |
| MonoisotopicMass | 443.070654 |
| CLogP | 3.6055 |
| CLogS | -3.944 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 325.97 |
| Relative PSA | 0.26398 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -2.3438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide | 2 - 2-[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off