2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
Formula:C25H23N5O6Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C25H23N5O6Cl2S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CN(c(ccc(Cl)c2)c2Cl)S(c2ccccc2)(=O)=O)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C25H23Cl2N5O6S/c26-19-6-8-24(22(27)15-19)31(39(36,37)21-4-2-1-3-5-21)17-25(33)29-28-16-18-14-20(32(34)35)7-9-23(18)30-10-12-38-13-11-30/h1-9,14-16H,10-13,17H2,(H,29,33) |
| InChIK | GCRULCUHCOFKDY-UHFFFAOYSA-N |
| TotalMolweight | 592.459 |
| Molweight | 592.459 |
| MonoisotopicMass | 591.074609 |
| CLogP | 3.0102 |
| CLogS | -6.961 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 415.74 |
| Relative PSA | 0.26966 |
| PolarSurfaceArea | 145.51 |
| Druglikeness | -6.9703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4359 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off