N'-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Formula:C20H14N2O2BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C20H14N2O2BrF3S |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C20H14BrF3N2O2S/c21-16-9-11-18(12-10-16)29(27,28)26-19(14-5-2-1-3-6-14)25-17-8-4-7-15(13-17)20(22,23)24/h1-13H,(H,25,26) |
| InChIK | BGNKLULQWJDTTR-UHFFFAOYSA-N |
| TotalMolweight | 483.307 |
| Molweight | 483.307 |
| MonoisotopicMass | 481.991143 |
| CLogP | 5.5832 |
| CLogS | -5.832 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.88 |
| Relative PSA | 0.16964 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -6.2574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide | 2 - N'-(4-bromophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off