2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C22H19N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N3O4Cl2S |
| Smiles | Oc1cccc(/C=N\NC(CN(Cc(ccc(Cl)c2)c2Cl)S(c2ccccc2)(=O)=O)=O)c1 |
| InChI | InChI=1S/C22H19Cl2N3O4S/c23-18-10-9-17(21(24)12-18)14-27(32(30,31)20-7-2-1-3-8-20)15-22(29)26-25-13-16-5-4-6-19(28)11-16/h1-13,28H,14-15H2,(H,26,29) |
| InChIK | JKWGRLKZPBMVSX-UHFFFAOYSA-N |
| TotalMolweight | 492.382 |
| Molweight | 492.382 |
| MonoisotopicMass | 491.047331 |
| CLogP | 4.3495 |
| CLogS | -5.121 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 350.34 |
| Relative PSA | 0.23189 |
| PolarSurfaceArea | 107.45 |
| Druglikeness | 0.22679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
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