2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
Formula:C22H16N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H16N4O3Cl2S |
| Smiles | N#Cc1ccc(/C=N\NC(CN(c(cc2)cc(Cl)c2Cl)S(c2ccccc2)(=O)=O)=O)cc1 |
| InChI | InChI=1S/C22H16Cl2N4O3S/c23-20-11-10-18(12-21(20)24)28(32(30,31)19-4-2-1-3-5-19)15-22(29)27-26-14-17-8-6-16(13-25)7-9-17/h1-12,14H,15H2,(H,27,29) |
| InChIK | YMJPGTWSHXKQJV-UHFFFAOYSA-N |
| TotalMolweight | 487.366 |
| Molweight | 487.366 |
| MonoisotopicMass | 486.032015 |
| CLogP | 4.0984 |
| CLogS | -7.171 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 351.94 |
| Relative PSA | 0.23214 |
| PolarSurfaceArea | 111.01 |
| Druglikeness | -10.367 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| 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-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
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