3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
Formula:C21H16N3O4ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H16N3O4ClF2S |
| Smiles | O=C(c1cccc(S(Nc(cccc2)c2Cl)(=O)=O)c1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C21H16ClF2N3O4S/c22-18-6-1-2-7-19(18)27-32(29,30)17-5-3-4-15(12-17)20(28)26-25-13-14-8-10-16(11-9-14)31-21(23)24/h1-13,21,27H,(H,26,28) |
| InChIK | PQERMAPSMMHXJA-UHFFFAOYSA-N |
| TotalMolweight | 479.89 |
| Molweight | 479.89 |
| MonoisotopicMass | 479.05181 |
| CLogP | 4.2761 |
| CLogS | -6.412 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 337.41 |
| Relative PSA | 0.25503 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -1.3396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide | 2 - 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
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