4-bromo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
Formula:C15H13N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide |
| MolecularFormula | C15H13N2O2BrS |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C15H13BrN2O2S/c16-14-8-10-15(11-9-14)21(19,20)18-17-12-4-7-13-5-2-1-3-6-13/h1-12,18H |
| InChIK | PHCSNSQVABGBHK-UHFFFAOYSA-N |
| TotalMolweight | 365.25 |
| Molweight | 365.25 |
| MonoisotopicMass | 363.988109 |
| CLogP | 3.0206 |
| CLogS | -3.042 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.95 |
| Relative PSA | 0.21218 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -0.48366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide | 2 - 4-bromo-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off