2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C21H17N4O3Cl3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H17N4O3Cl3S |
| Smiles | O=C(CN(Cc(c(Cl)ccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C21H17Cl3N4O3S/c22-15-7-9-17(10-8-15)32(30,31)28(13-18-19(23)5-3-6-20(18)24)14-21(29)27-26-12-16-4-1-2-11-25-16/h1-12H,13-14H2,(H,27,29) |
| InChIK | KJPSRDAOKFVSNI-UHFFFAOYSA-N |
| TotalMolweight | 511.816 |
| Molweight | 511.816 |
| MonoisotopicMass | 510.008692 |
| CLogP | 4.3543 |
| CLogS | -5.382 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 358.17 |
| Relative PSA | 0.22087 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 7.6379 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
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