2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C21H19N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C21H19N4O3ClS |
| Smiles | O=C(CN(Cc(cc1)ccc1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C21H19ClN4O3S/c22-19-10-8-17(9-11-19)15-26(30(28,29)20-6-2-1-3-7-20)16-21(27)25-24-14-18-5-4-12-23-13-18/h1-14H,15-16H2,(H,25,27) |
| InChIK | VIHNZUKRKKLFAD-UHFFFAOYSA-N |
| TotalMolweight | 442.926 |
| Molweight | 442.926 |
| MonoisotopicMass | 442.086638 |
| CLogP | 3.0883 |
| CLogS | -3.886 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 327.33 |
| Relative PSA | 0.24168 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 0.99648 |
| 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 | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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