chempirical

Trifloxysulfuron

C14H14F3N5O6SCAS 145099-21-4437.35 g/mol

Open in Covalent MOL file
OONNHONHSOONOFFFN
Alkyl halideEtherSulfonamide

Properties

Molecular formula
C14H14F3N5O6S
Molar mass
437.35 g/mol
Exact mass
437.0617 Da
logP
1.35Crippen estimate
Polar surface area
145.1 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
7

Identifiers

CAS number
145099-21-4
SMILES
COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2ncccc2OCC(F)(F)F)n1
InChIKey
AIMMSOZBPYFASU-UHFFFAOYSA-N
InChI
InChI=1S/C14H14F3N5O6S/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-
  • N-[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide
  • 1-(4,6-Dimethoxypyrimidin-2-yl)-3-[3-(2,2,2-trifluoroethoxy)-2-pyridylsulfonyl]urea

Work with Trifloxysulfuron

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Flazasulfuron104040-78-070 % similar Rimsulfuron122931-48-064 % similar Nicosulfuron111991-09-460 % similar Trifloxysulfuron-sodium199119-58-956 % similar Ethoxysulfuron126801-58-951 % similar Sulfosulfuron141776-32-147 % similar Chlorimuron99283-00-844 % similar Bensulfuron-methyl83055-99-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook