3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C21H15N3O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H15N3O3ClF3S |
| Smiles | O=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H15ClF3N3O3S/c22-17-8-10-18(11-9-17)28-32(30,31)19-3-1-2-15(12-19)20(29)27-26-13-14-4-6-16(7-5-14)21(23,24)25/h1-13,28H,(H,27,29) |
| InChIK | TYHGDPDCYXCCRQ-UHFFFAOYSA-N |
| TotalMolweight | 481.881 |
| Molweight | 481.881 |
| MonoisotopicMass | 481.047473 |
| CLogP | 4.955 |
| CLogS | -6.568 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 331.67 |
| Relative PSA | 0.22929 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -5.8 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
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