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Pyroxsulam

CAT: 1299-RM-P311100-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P311100-02Size:25 mg
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CAS Number
422556-08-9
Synonyms
N- (5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) -2-methoxy-4- (trifluoromethyl) pyridine-3-sulfonamide
Molecular Formula
C14H13F3N6O5S
Molecular Weight
434.35
Target Alternative Name
Pyroxsulam
Product Name Synonym
N- (5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) -2-methoxy-4- (trifluoromethyl) pyridine-3-sulfonamide

Chemical Information

Pyroxsulam
CAS Number422556-08-9
PubChem CID11571555
IUPAC NameN-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
Molecular FormulaC14H13F3N6O5S
Molecular Weight434.35
XLogP1.7
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity665
SMILES
COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC
InChI
InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
InChIKey
GLBLPMUBLHYFCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyroxsulam
CAS: 422556-08-9
CID: 11571555
Formula: C14H13F3N6O5S
MW: 434.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight434.35
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass434.06202320
Monoisotopic Mass434.06202320
Topological Polar Surface Area138 Ų
Heavy Atom Count29
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes