2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C20H16N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C20H16N4O3Cl2S |
| Smiles | O=C(CN(c(cc1)cc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H16Cl2N4O3S/c21-18-9-8-16(11-19(18)22)26(30(28,29)17-6-2-1-3-7-17)14-20(27)25-24-13-15-5-4-10-23-12-15/h1-13H,14H2,(H,25,27) |
| InChIK | XAHVBRDKHWJFBT-UHFFFAOYSA-N |
| TotalMolweight | 463.344 |
| Molweight | 463.344 |
| MonoisotopicMass | 462.032015 |
| CLogP | 3.2619 |
| CLogS | -5.603 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.99 |
| Relative PSA | 0.24046 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -1.4126 |
| 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 | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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