2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C22H16N3O3Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C22H16N3O3Cl2F3S |
| Smiles | O=C(CN(c(cc1)cc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C22H16Cl2F3N3O3S/c23-19-11-10-16(12-20(19)24)30(34(32,33)17-7-2-1-3-8-17)14-21(31)29-28-13-15-6-4-5-9-18(15)22(25,26)27/h1-13H,14H2,(H,29,31) |
| InChIK | SEQWPDHJPZOCDP-UHFFFAOYSA-N |
| TotalMolweight | 530.353 |
| Molweight | 530.353 |
| MonoisotopicMass | 529.02415 |
| CLogP | 5.1111 |
| CLogS | -7.176 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.69 |
| Relative PSA | 0.18944 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -11.614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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