2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C17H17N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C17H17N2O3ClS2 |
| Smiles | O=C(CSCCS(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H17ClN2O3S2/c18-15-8-6-14(7-9-15)12-19-20-17(21)13-24-10-11-25(22,23)16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,20,21) |
| InChIK | HUVBJCWUXGWTIB-UHFFFAOYSA-N |
| TotalMolweight | 396.918 |
| Molweight | 396.918 |
| MonoisotopicMass | 396.03691 |
| CLogP | 3.1914 |
| CLogS | -5.175 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.76 |
| Relative PSA | 0.28327 |
| PolarSurfaceArea | 109.28 |
| Druglikeness | -11.487 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
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