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

C12H18BNO4SCAS 214360-51-7283.15 g/mol

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BOOSOONH2
Boronic esterSulfonamide

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-160 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-855 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-354 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-251 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-851 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-351 % similar 4-Formylphenylboronic acid pinacol ester128376-64-750 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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