2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C23H18N3O3Cl2F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N3O3Cl2F3S |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc(cc1)Cl)c1Cl)(=O)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C23H18Cl2F3N3O3S/c24-18-10-11-20(25)21(12-18)35(33,34)31(14-16-6-2-1-3-7-16)15-22(32)30-29-13-17-8-4-5-9-19(17)23(26,27)28/h1-13H,14-15H2,(H,30,32) |
| InChIK | PCKIXDQDYGHZKQ-UHFFFAOYSA-N |
| TotalMolweight | 544.38 |
| Molweight | 544.38 |
| MonoisotopicMass | 543.0398 |
| CLogP | 5.5435 |
| CLogS | -6.195 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 373.45 |
| Relative PSA | 0.18246 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.7861 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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