4-bromo-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzenesulfonamide
Formula:C18H14N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzenesulfonamide |
| MolecularFormula | C18H14N3O2BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C(\c1ccccc1)/c1cnccc1)=O |
| InChI | InChI=1S/C18H14BrN3O2S/c19-16-8-10-17(11-9-16)25(23,24)22-21-18(14-5-2-1-3-6-14)15-7-4-12-20-13-15/h1-13,22H |
| InChIK | ZHQTVEXZHNISDE-UHFFFAOYSA-N |
| TotalMolweight | 416.298 |
| Molweight | 416.298 |
| MonoisotopicMass | 414.999008 |
| CLogP | 3.1981 |
| CLogS | -3.731 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.18 |
| Relative PSA | 0.22886 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | 1.1231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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