2-(Methanesulfonylamino)phenylboronic acid pinacol ester

C₁₃H₂₀BNO₄SCAS 380430-60-4297.18 g/mol

Open in Covalent MOL file

Boronic ester Sulfonamide

Properties

Molecular formula: C₁₃H₂₀BNO₄S
Molar mass: 297.18 g/mol
Exact mass: 297.1206 Da
logP: 1.36Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

380430-60-4

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C

InChIKey

ADAOINPTCZWNBZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-8-6-7-9-11(10)15-20(5,16)17/h6-9,15H,1-5H3

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

Names and synonyms

1 names

2-Methanesulfonylaminophenylboronic acid, pinacol ester

Work with 2-(Methanesulfonylamino)phenylboronic acid pinacol ester

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

B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-257 % similar N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480425-36-357 % similar N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide380430-61-555 % similar tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate159624-15-451 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-048 % similar 2-Formylphenylboronic acid pinacol ester380151-85-947 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-846 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-446 % similar

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

Elsewhere

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