4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzenesulfonamide
Formula:C11H9N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzenesulfonamide |
| MolecularFormula | C11H9N2O2BrS2 |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\c1cscc1)=O |
| InChI | InChI=1S/C11H9BrN2O2S2/c12-10-1-3-11(4-2-10)18(15,16)14-13-7-9-5-6-17-8-9/h1-8,14H |
| InChIK | FGZBWBAAUAHVFI-UHFFFAOYSA-N |
| TotalMolweight | 345.24 |
| Molweight | 345.24 |
| MonoisotopicMass | 343.928879 |
| CLogP | 2.7867 |
| CLogS | -2.65 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.39 |
| Relative PSA | 0.33858 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | 1.1659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-thiophen-3-ylmethylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off