4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide
Formula:C12H10N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide |
| MolecularFormula | C12H10N3O2BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C12H10BrN3O2S/c13-11-3-5-12(6-4-11)19(17,18)16-15-9-10-2-1-7-14-8-10/h1-9,16H |
| InChIK | IFFGXWBHJDFKBK-UHFFFAOYSA-N |
| TotalMolweight | 340.2 |
| Molweight | 340.2 |
| MonoisotopicMass | 338.967708 |
| CLogP | 2.0014 |
| CLogS | -1.955 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.21 |
| Relative PSA | 0.29051 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | 1.2345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-pyridin-3-ylmethylideneamino]benzenesulfonamide
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