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

C7H4F6N2O4S2CAS 145100-50-1358.23 g/mol

Open in Covalent MOL file
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Alkyl halideSulfonamide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Dimethylaminopyridine5683-33-040 % similar Pyridine-2-sulfonyl fluoride878376-35-337 % similar 2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-436 % similar Pyridinylpiperazine34803-66-235 % similar 2-Difluoromethanesulfonylpyridine1219454-89-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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