2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C21H15N3O3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H15N3O3ClF3S |
| Smiles | O=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C21H15ClF3N3O3S/c22-15-9-11-16(12-10-15)32(30,31)28-19-8-4-2-6-17(19)20(29)27-26-13-14-5-1-3-7-18(14)21(23,24)25/h1-13,28H,(H,27,29) |
| InChIK | XVBCJWJZEGPXCA-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 | -2.8512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| 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 | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide | 2 - 2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
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