2-(N,N-Dimethylsulphamoyl)benzeneboronic acid

C₈H₁₂BNO₄SCAS 178432-25-2229.06 g/mol

Open in Covalent MOL file

Boronic acid Sulfonamide

Properties

Molecular formula: C₈H₁₂BNO₄S
Molar mass: 229.06 g/mol
Exact mass: 229.0580 Da
logP: -1.38Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

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

Identifiers

CAS number

178432-25-2

SMILES

B(C1=CC=CC=C1S(=O)(=O)N(C)C)(O)O

InChIKey

GCHDOHKUPJUTCB-UHFFFAOYSA-N

InChI

InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3

Weigh it out

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

Names and synonyms

1 names

2-(N,N-Dimethylsulphamoyl)phenylboronic acid

Work with 2-(N,N-Dimethylsulphamoyl)benzeneboronic 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

Similar compounds

(2-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid913835-83-362 % similar 2-(Methanesulfonyl)phenylboronic acid330804-03-057 % similar B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-241 % similar 2-(N,N-Dimethylaminomethyl)phenylboronic acid85107-53-541 % similar 2-Methylphenylboronic acid16419-60-640 % similar 2-Formylphenylboronic acid40138-16-738 % similar 2-Acetylphenylboronic acid308103-40-438 % similar (2-Bromophenyl)boronic acid244205-40-137 % similar

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

Same formula

4-(N,N-Dimethylsulphonamido)benzeneboronic acid486422-59-7

Elsewhere

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