N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
Formula:C21H16N4O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide |
| MolecularFormula | C21H16N4O5Cl2S |
| Smiles | [O-][N+](c(cccc1)c1S(N(CC(N/N=C\c(ccc(Cl)c1)c1Cl)=O)c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C21H16Cl2N4O5S/c22-16-11-10-15(18(23)12-16)13-24-25-21(28)14-26(17-6-2-1-3-7-17)33(31,32)20-9-5-4-8-19(20)27(29)30/h1-13H,14H2,(H,25,28) |
| InChIK | HYIGUZLNHAKFFI-UHFFFAOYSA-N |
| TotalMolweight | 507.353 |
| Molweight | 507.353 |
| MonoisotopicMass | 506.021845 |
| CLogP | 3.3412 |
| CLogS | -6.858 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 353.9 |
| Relative PSA | 0.2785 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | 0.52223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off