2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C21H18N4O3ClFS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H18N4O3ClFS |
| Smiles | O=C(CN(Cc(cccc1)c1F)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C21H18ClFN4O3S/c22-17-8-10-19(11-9-17)31(29,30)27(14-16-5-1-2-7-20(16)23)15-21(28)26-25-13-18-6-3-4-12-24-18/h1-13H,14-15H2,(H,26,28) |
| InChIK | PIVJCQFBZHMAPH-UHFFFAOYSA-N |
| TotalMolweight | 460.916 |
| Molweight | 460.916 |
| MonoisotopicMass | 460.077216 |
| CLogP | 3.2431 |
| CLogS | -4.224 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.68 |
| Relative PSA | 0.23708 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 5.9887 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
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