2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C21H18N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C21H18N4O3Cl2S |
| Smiles | O=C(CN(Cc(cc1)cc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C21H18Cl2N4O3S/c22-19-7-6-17(12-20(19)23)14-27(31(29,30)18-4-2-1-3-5-18)15-21(28)26-25-13-16-8-10-24-11-9-16/h1-13H,14-15H2,(H,26,28) |
| InChIK | IELCQNVPYSPSDG-UHFFFAOYSA-N |
| TotalMolweight | 477.371 |
| Molweight | 477.371 |
| MonoisotopicMass | 476.047665 |
| CLogP | 3.6943 |
| CLogS | -4.622 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 342.75 |
| Relative PSA | 0.23081 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -0.70105 |
| Mutagenic | none |
| 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 | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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