(1Z)-1-thiophen-3-ylsulfonyl-N-[3-(trifluoromethyl)anilino]methanimidoyl cyanide
Formula:C13H8N3O2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-thiophen-3-ylsulfonyl-N-[3-(trifluoromethyl)anilino]methanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-1-thiophen-3-ylsulfonyl-N-[3-(trifluoromethyl)anilino]methanimidoyl cyanide |
| MolecularFormula | C13H8N3O2F3S2 |
| Smiles | N#C/C(/S(c1cscc1)(=O)=O)=N/Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C13H8F3N3O2S2/c14-13(15,16)9-2-1-3-10(6-9)18-19-12(7-17)23(20,21)11-4-5-22-8-11/h1-6,8,18H |
| InChIK | ZTCZHDOIGYFXPV-UHFFFAOYSA-N |
| TotalMolweight | 359.352 |
| Molweight | 359.352 |
| MonoisotopicMass | 359.001001 |
| CLogP | 3.1612 |
| CLogS | -3.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.14 |
| Relative PSA | 0.35153 |
| PolarSurfaceArea | 118.94 |
| Druglikeness | -8.9895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-1-thiophen-3-ylsulfonyl-N-[3-(trifluoromethyl)anilino]methanimidoyl cyanide | 2 - (1Z)-1-thiophen-3-ylsulfonyl-N-[3-(trifluoromethyl)anilino]methanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off