2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C20H17N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C20H17N4O3ClS |
| Smiles | O=C(CN(c1cccc(Cl)c1)S(c1ccccc1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H17ClN4O3S/c21-17-7-4-8-18(12-17)25(29(27,28)19-9-2-1-3-10-19)15-20(26)24-23-14-16-6-5-11-22-13-16/h1-14H,15H2,(H,24,26) |
| InChIK | SJCPFZRTAQETJI-UHFFFAOYSA-N |
| TotalMolweight | 428.899 |
| Molweight | 428.899 |
| MonoisotopicMass | 428.070988 |
| CLogP | 2.6559 |
| CLogS | -4.867 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 313.57 |
| Relative PSA | 0.25229 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -0.30288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-chloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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