(E)-N-(4-bromophenyl)sulfonylbenzenecarboximidoyl chloride
Formula:C13H9NO2BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-bromophenyl)sulfonylbenzenecarboximidoyl chloride is a drug-like molecule.
| MolName | (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidoyl chloride |
| MolecularFormula | C13H9NO2BrClS |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Cl)=O |
| InChI | InChI=1S/C13H9BrClNO2S/c14-11-6-8-12(9-7-11)19(17,18)16-13(15)10-4-2-1-3-5-10/h1-9H |
| InChIK | CFRCKJJVYIMSFW-UHFFFAOYSA-N |
| TotalMolweight | 358.642 |
| Molweight | 358.642 |
| MonoisotopicMass | 356.922587 |
| CLogP | 3.5106 |
| CLogS | -4.888 |
| H Acceptors | 3 |
| TotalSurfaceArea | 218.62 |
| Relative PSA | 0.18338 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -2.5935 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; allyl/benzyl chloride |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidoyl chloride | 2 - (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidoyl chloride
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off