2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C22H17N4O5Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H17N4O5Cl2FS |
| Smiles | [O-][N+](c1c(/C=N\NC(CN(Cc(c(F)ccc2)c2Cl)S(c(cc2)ccc2Cl)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C22H17Cl2FN4O5S/c23-16-8-10-17(11-9-16)35(33,34)28(13-18-19(24)5-3-6-20(18)25)14-22(30)27-26-12-15-4-1-2-7-21(15)29(31)32/h1-12H,13-14H2,(H,27,30) |
| InChIK | OIXZHNRGFDAZFH-UHFFFAOYSA-N |
| TotalMolweight | 539.37 |
| Molweight | 539.37 |
| MonoisotopicMass | 538.028073 |
| CLogP | 3.8744 |
| CLogS | -6.191 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 374.01 |
| Relative PSA | 0.26352 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -1.0786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off