2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
Formula:C22H17N3O3Cl3FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H17N3O3Cl3FS |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc(cc1)Cl)c1Cl)(=O)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C22H17Cl3FN3O3S/c23-16-9-10-19(25)21(11-16)33(31,32)29(13-15-5-2-1-3-6-15)14-22(30)28-27-12-17-18(24)7-4-8-20(17)26/h1-12H,13-14H2,(H,28,30) |
| InChIK | HZVCXEYBDGGZEG-UHFFFAOYSA-N |
| TotalMolweight | 528.818 |
| Molweight | 528.818 |
| MonoisotopicMass | 527.004021 |
| CLogP | 5.402 |
| CLogS | -6.467 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 365.76 |
| Relative PSA | 0.1863 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 5.6523 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide | 2 - 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
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