| MolName | 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C25H16N3O4ClS |
| Smiles | O=C(c1cccc(S(Nc2cccc(Cl)c2)(=O)=O)c1)N/N=C(/c1cccc2cccc3c12)\C3=O |
| InChI | InChI=1S/C25H16ClN3O4S/c26-17-8-4-9-18(14-17)29-34(32,33)19-10-1-7-16(13-19)25(31)28-27-23-20-11-2-5-15-6-3-12-21(22(15)20)24(23)30/h1-14,29H,(H,28,31) |
| InChIK | ZFQUMLLMSBGSSG-UHFFFAOYSA-N |
| TotalMolweight | 489.938 |
| Molweight | 489.938 |
| MonoisotopicMass | 489.055004 |
| CLogP | 4.739 |
| CLogS | -7.986 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.27 |
| Relative PSA | 0.26259 |
| PolarSurfaceArea | 113.08 |
| Druglikeness | -1.1702 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide | 2 - 3-[(3-chlorophenyl)sulfamoyl]-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide