N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C18H13N3O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C18H13N3O3Cl2S2 |
| Smiles | O=C(c(cccc1)c1NS(c1cccs1)(=O)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H13Cl2N3O3S2/c19-13-8-7-12(15(20)10-13)11-21-22-18(24)14-4-1-2-5-16(14)23-28(25,26)17-6-3-9-27-17/h1-11,23H,(H,22,24) |
| InChIK | LYLFFECQZKCNSG-UHFFFAOYSA-N |
| TotalMolweight | 454.357 |
| Molweight | 454.357 |
| MonoisotopicMass | 452.977536 |
| CLogP | 4.7018 |
| CLogS | -6.443 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.57 |
| Relative PSA | 0.30746 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 7.0573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
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