chempirical

Lansoprazole sulfone

C16H14F3N3O3SCAS 131926-99-3385.36 g/mol

Open in Covalent MOL file
NSOONNHOFFF
Alkyl halideEtherSulfone

Properties

Molecular formula
C16H14F3N3O3S
Molar mass
385.36 g/mol
Exact mass
385.0708 Da
logP
3.18Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
131926-99-3
SMILES
CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChIKey
TVMJMCGRSSSSDJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)

Weigh it out

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

Work with Lansoprazole sulfone

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

Lansoprazole sulfide103577-40-863 % similar Lansoprazole103577-45-363 % similar (+)-Lansoprazole138530-94-663 % similar 3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-849 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-049 % similar 2-Chloromethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-447 % similar 2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride253345-80-147 % similar Rabeprazole117976-89-343 % similar

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

Elsewhere

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