2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
Formula:C23H21N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H21N3O3Cl2S |
| Smiles | Cc1cccc(/C=N\NC(CN(Cc(cc2)cc(Cl)c2Cl)S(c2ccccc2)(=O)=O)=O)c1 |
| InChI | InChI=1S/C23H21Cl2N3O3S/c1-17-6-5-7-18(12-17)14-26-27-23(29)16-28(15-19-10-11-21(24)22(25)13-19)32(30,31)20-8-3-2-4-9-20/h2-14H,15-16H2,1H3,(H,27,29) |
| InChIK | QQDVPDWCDLKIJC-UHFFFAOYSA-N |
| TotalMolweight | 490.41 |
| Molweight | 490.41 |
| MonoisotopicMass | 489.068066 |
| CLogP | 5.0391 |
| CLogS | -5.761 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 356.25 |
| Relative PSA | 0.19127 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.76252 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
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