4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

C₁₂H₁₈BNO₄SCAS 214360-51-7283.15 g/mol

Open in Covalent MOL file

Boronic ester Sulfonamide

Properties

Molecular formula: C₁₂H₁₈BNO₄S
Molar mass: 283.15 g/mol
Exact mass: 283.1050 Da
logP: 0.63Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

214360-51-7

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)N

InChIKey

XDDLLUBKOZYOMY-UHFFFAOYSA-N

InChI

InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16)

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Names and synonyms

1 names

4-Sulfamoylphenylboronic acid, pinacol ester

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

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

4-Formylphenylboronic acid pinacol ester128376-64-750 % similar 4-tert-Butylbenzenesulfonamide6292-59-750 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-749 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-646 % similar 4-Nitrophenylboronic acid pinacol ester171364-83-346 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-246 % similar P-Toluenesulfonamide70-55-346 % similar 4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide1092563-25-146 % similar

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

Elsewhere

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