2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine

C₇H₄F₆N₂O₄S₂CAS 145100-50-1358.23 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonamide

Properties

Molecular formula: C₇H₄F₆N₂O₄S₂
Molar mass: 358.23 g/mol
Exact mass: 357.9517 Da
logP: 1.59Crippen estimate
Polar surface area: 84.4 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Identifiers

CAS number

145100-50-1

SMILES

C1=CC=NC(=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChIKey

DXLQEJHUQKKSRB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F6N2O4S2/c8-6(9,10)20(16,17)15(5-3-1-2-4-14-5)21(18,19)7(11,12)13/h1-4H

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Names and synonyms

1 names

1,1,1-Trifluoro-N-(pyridin-2-yl)-N-(trifluoromethanesulfonyl)methanesulfonamide

Work with 2-[N,N-Bis(trifluoromethylsulfonyl)amino]pyridine

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

Bis(trifluoromethanesulfonyl)aniline37595-74-758 % similar Comins' reagent145100-51-256 % similar 2-(Trifluoromethyl)pyridine368-48-940 % similar 2-(Dimethylamino)pyridine5683-33-040 % similar 2-[N-Methyl-N-(2-pyridyl)amino]ethanol122321-04-436 % similar Pyridinylpiperazine34803-66-235 % similar 2-Difluoromethanesulfonylpyridine1219454-89-334 % similar 2-[(Tribromomethyl)sulfonyl]pyridine59626-33-434 % similar

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

Elsewhere

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