2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C21H17N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N3O3Cl2S |
| Smiles | O=C(CN(c1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C21H17Cl2N3O3S/c22-19-12-11-16(13-20(19)23)14-24-25-21(27)15-26(17-7-3-1-4-8-17)30(28,29)18-9-5-2-6-10-18/h1-14H,15H2,(H,25,27) |
| InChIK | BTMHNSNNESQZKE-UHFFFAOYSA-N |
| TotalMolweight | 462.356 |
| Molweight | 462.356 |
| MonoisotopicMass | 461.036766 |
| CLogP | 4.2628 |
| CLogS | -6.398 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.23 |
| Relative PSA | 0.20634 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.30899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)anilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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