N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide
Formula:C22H16N3O5ClF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide |
| MolecularFormula | C22H16N3O5ClF4S |
| Smiles | O=C(c1cccc(S(Nc2cccc(Cl)c2)(=O)=O)c1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C22H16ClF4N3O5S/c23-15-4-2-5-16(10-15)30-36(32,33)18-6-1-3-13(9-18)20(31)29-28-12-14-7-8-17(34-21(24)25)11-19(14)35-22(26)27/h1-12,21-22,30H,(H,29,31) |
| InChIK | BDDWBVRUWIIAIE-UHFFFAOYSA-N |
| TotalMolweight | 545.896 |
| Molweight | 545.896 |
| MonoisotopicMass | 545.043531 |
| CLogP | 4.4455 |
| CLogS | -7.034 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 372.61 |
| Relative PSA | 0.25778 |
| PolarSurfaceArea | 114.47 |
| Druglikeness | -3.1804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-[(3-chlorophenyl)sulfamoyl]benzamide
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