2,4-dichloro-N-[(Z)-(2-chloro-5-hydroxyphenyl)methylideneamino]benzenesulfonamide
Formula:C13H9N2O3Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-(2-chloro-5-hydroxyphenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-(2-chloro-5-hydroxyphenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H9N2O3Cl3S |
| Smiles | Oc(cc1)cc(/C=N\NS(c(ccc(Cl)c2)c2Cl)(=O)=O)c1Cl |
| InChI | InChI=1S/C13H9Cl3N2O3S/c14-9-1-4-13(12(16)6-9)22(20,21)18-17-7-8-5-10(19)2-3-11(8)15/h1-7,18-19H |
| InChIK | QLVCWEBGSOHKGB-UHFFFAOYSA-N |
| TotalMolweight | 379.65 |
| Molweight | 379.65 |
| MonoisotopicMass | 377.939944 |
| CLogP | 3.7494 |
| CLogS | -3.828 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.43 |
| Relative PSA | 0.25816 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 2.6505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-(2-chloro-5-hydroxyphenyl)methylideneamino]benzenesulfonamide | 2 - 2,4-dichloro-N-[(Z)-(2-chloro-5-hydroxyphenyl)methylideneamino]benzenesulfonamide
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