N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-iodophenyl)ethanimidamide
Formula:C14H10N2O2F3IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-iodophenyl)ethanimidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-iodophenyl)ethanimidamide |
| MolecularFormula | C14H10N2O2F3IS |
| Smiles | O=S(c1ccccc1)(/N=C(/C(F)(F)F)\Nc(cc1)ccc1I)=O |
| InChI | InChI=1S/C14H10F3IN2O2S/c15-14(16,17)13(19-11-8-6-10(18)7-9-11)20-23(21,22)12-4-2-1-3-5-12/h1-9H,(H,19,20) |
| InChIK | UQLIKJJWJIQZEW-UHFFFAOYSA-N |
| TotalMolweight | 454.205 |
| Molweight | 454.205 |
| MonoisotopicMass | 453.94598 |
| CLogP | 3.4873 |
| CLogS | -4.806 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.77 |
| Relative PSA | 0.20475 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -15.442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-iodophenyl)ethanimidamide | 2 - N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(4-iodophenyl)ethanimidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off