Sulfoxaflor


PubChem CID 16723172
Molecular Formula C10H10F3N3OS
Structure Compound Image
Synonyms
Sulfoxaflor
946578-00-3
Transform
Sulfoxaflor [ISO]
Cyanamide,N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-l4-sulfanylidene]-
671W88OY8K
N-(methyloxido(1-(6-(trifluoromethyl)-3-pyridinyl)ethyl)-lambda4-sulfanylidene)cyanamide
GF 2032; GF 2372; XDE 208
sulfoxaflor A
sulfoxaflor B
UNII-671W88OY8K
XDE 208
GF 2032; GF 2372; Methyl[1-(2-trifluoromethylpyridin-5-yl)ethyl]-N-cyanosulfoximine; Sulfoxaflor; Transform; XDE 208, Cyanamide, N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-?4-sulfanylidene]-
GF 2032
GF 2372
Sulfoxaflor 100 microg/mL in Acetonitrile
SCHEMBL520711
CHEMBL2230078
DTXSID0074687
HSDB 8245
XDE-208
CHEBI:133306
WMB57800
AKOS027322695
GF-2032
GF-2372
[methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfanylidene]cyanamide
1ST20444
DA-58191
HY-118504
CS-0066179
Q14566721
Z3244811863
METHYL(1-(2-TRIFLUOROMETHYLPYRIDIN-5-YL)ETHYL)-N-CYANOSULFOXIMINE
[methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide
[methyl(oxo){1-[6-(trifluoromethyl)-3-pyridyl]ethyl}-lambda6-sulfanylidene]cyanamide
N-(methyl(oxo)(1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-l6-sulfanylidene)cyanamide
N-[Methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridyl]ethyl]-lambda6-sulfanylidene]cyanamide
CYANAMIDE, N-(METHYLOXIDO(1-(6-(TRIFLUOROMETHYL)-3-PYRIDINYL)ETHYL)-.LAMBDA.4-SULFANYLIDENE)-
Cyanamide, N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-.lamda.4-sulfanylidene]-

Computed Descriptors


IUPAC Name [methyl-oxo-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfanylidene]cyanamide
SMILES CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C
Canonical SMILES CC(C1=CN=C(C=C1)C(F)(F)F)S(=NC#N)(=O)C
InChI InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3
InChIKey ZVQOOHYFBIDMTQ-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 277.27 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 277.05
Monoisotopic Mass 277.05
Topological Polar Surface Area 74.5
Heavy Atom Count 18
Formal Charge 0
Complexity 459
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

5 pairs of Verified P450 and Sulfoxaflor


Insect Gene Symbol Validation Reference
Aphis gossypii CYP6CY13 R
Aphis gossypii CYP6CY13-2 R
Aphis gossypii CYP6CY19 R
Sogatella furcifera CYP4FD2 R
Sogatella furcifera CYP6FD1 R