3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide
Formula:C12H9N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide |
| MolecularFormula | C12H9N3O2Cl2S |
| Smiles | O=S(c(cc1)cc(Cl)c1Cl)(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C12H9Cl2N3O2S/c13-11-4-3-10(6-12(11)14)20(18,19)17-16-8-9-2-1-5-15-7-9/h1-8,17H |
| InChIK | FCMAFVMWZFVPOF-UHFFFAOYSA-N |
| TotalMolweight | 330.194 |
| Molweight | 330.194 |
| MonoisotopicMass | 328.979251 |
| CLogP | 2.4882 |
| CLogS | -2.593 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.42 |
| Relative PSA | 0.27491 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | 2.8325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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