B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid

C₇H₁₀BNO₄SCAS 756520-78-2215.03 g/mol

Open in Covalent MOL file

Alcohol Secondary Amine Sulfone

Properties

Molecular formula: C₇H₁₀BNO₄S
Molar mass: 215.03 g/mol
Exact mass: 215.0424 Da
logP: -1.26Crippen estimate
Polar surface area: 86.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Identifiers

CAS number

756520-78-2

SMILES

CS(=O)(=O)Nc1ccccc1B(O)O

InChIKey

RPRMOEFOTPSWBO-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9-11H,1H3

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-[2-[(methylsulfonyl)amino]phenyl]-
Boronic acid, [2-[(methylsulfonyl)amino]phenyl]-
2-(Methylsulfonylamino)benzeneboronic acid
[2-[(Methylsulfonyl)amino]phenyl]boronic acid
(2-(Methylsulfonamido)phenyl)boronic acid
2-Methanesulfonylaminophenylboronic acid

Work with B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid

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

Same formula

[4-(Methylsulfonamido)phenyl]boronic acid380430-57-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook