[4-(Methylsulfonamido)phenyl]boronic acid

C₇H₁₀BNO₄SCAS 380430-57-9215.03 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

380430-57-9

SMILES

CS(=O)(=O)Nc1ccc(B(O)O)cc1

InChIKey

NDVJJEADFLTFCD-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)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

8 names

Boronic acid, B-[4-[(methylsulfonyl)amino]phenyl]-
Boronic acid, [4-[(methylsulfonyl)amino]phenyl]-
B-[4-[(Methylsulfonyl)amino]phenyl]boronic acid
4-N-Methanesulfonamidophenylboronic acid
4-Methylsulfonylaminophenylboronic acid
[4-[(Methanesulfonyl)amino]phenyl]boronic acid
4-(Dihydroxyboryl)-N-(methylsulfonyl)phenylamine
[4-(Methanesulfonamido)phenyl]boronic acid

Work with [4-(Methylsulfonamido)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

B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-2

Elsewhere

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