2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
Formula:C22H15N3O3Cl2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H15N3O3Cl2F4S |
| Smiles | O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C22H15Cl2F4N3O3S/c23-17-7-4-8-19(25)16(17)12-29-30-21(32)13-31(35(33,34)15-5-2-1-3-6-15)20-11-14(22(26,27)28)9-10-18(20)24/h1-12H,13H2,(H,30,32) |
| InChIK | QZSCOQWXVBPKGT-UHFFFAOYSA-N |
| TotalMolweight | 548.343 |
| Molweight | 548.343 |
| MonoisotopicMass | 547.014728 |
| CLogP | 5.2119 |
| CLogS | -7.49 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 366.04 |
| Relative PSA | 0.18615 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -8.9671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
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