4-[5-[(Z)-[(3,5-dichloropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide
Formula:C20H14N6O3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-[5-[(Z)-[(3,5-dichloropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide is not a drug-like molecule.
| MolName | 4-[5-[(Z)-[(3,5-dichloropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide |
| MolecularFormula | C20H14N6O3Cl2S |
| Smiles | O=S(c(cc1)ccc1-c1ccc(/C=N\Nc(ncc(Cl)c2)c2Cl)o1)(Nc1ncccn1)=O |
| InChI | InChI=1S/C20H14Cl2N6O3S/c21-14-10-17(22)19(25-11-14)27-26-12-15-4-7-18(31-15)13-2-5-16(6-3-13)32(29,30)28-20-23-8-1-9-24-20/h1-12H,(H,25,27)(H,23,24,28) |
| InChIK | FJOIFQQVYOMGKX-UHFFFAOYSA-N |
| TotalMolweight | 489.342 |
| Molweight | 489.342 |
| MonoisotopicMass | 488.022513 |
| CLogP | 5.4477 |
| CLogS | -6.411 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 345.61 |
| Relative PSA | 0.31836 |
| PolarSurfaceArea | 130.75 |
| Druglikeness | 6.6221 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-[(3,5-dichloropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide | 2 - 4-[5-[(Z)-[(3,5-dichloropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]-N-pyrimidin-2-ylbenzenesulfonamide
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