2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C21H17N4O3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C21H17N4O3Cl3S |
| Smiles | O=C(CN(Cc(c(Cl)ccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C21H17Cl3N4O3S/c22-16-6-8-17(9-7-16)32(30,31)28(13-18-19(23)4-1-5-20(18)24)14-21(29)27-26-12-15-3-2-10-25-11-15/h1-12H,13-14H2,(H,27,29) |
| InChIK | BUBFPLVFJDHALL-UHFFFAOYSA-N |
| TotalMolweight | 511.816 |
| Molweight | 511.816 |
| MonoisotopicMass | 510.008692 |
| CLogP | 4.3003 |
| CLogS | -5.358 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 358.17 |
| Relative PSA | 0.22087 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 8.0267 |
| Mutagenic | none |
| 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 |
Click to Load Molecule:
1 - 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off