4-amino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
Formula:C13H11N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H11N3O2Cl2S |
| Smiles | Nc(cc1)ccc1S(N/N=C\c(cc1)cc(Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C13H11Cl2N3O2S/c14-12-6-1-9(7-13(12)15)8-17-18-21(19,20)11-4-2-10(16)3-5-11/h1-8,18H,16H2 |
| InChIK | QFMOKNQAVPOGOF-UHFFFAOYSA-N |
| TotalMolweight | 344.221 |
| Molweight | 344.221 |
| MonoisotopicMass | 342.994901 |
| CLogP | 2.8118 |
| CLogS | -3.464 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 237.18 |
| Relative PSA | 0.28173 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 4.7664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide | 2 - 4-amino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
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