chempirical

3-(Methylsulfonylamino)phenylboronic acid

C7H10BNO4SCAS 148355-75-3215.03 g/mol

Open in Covalent MOL file
BHNSOOHOHO
Boronic acidSulfonamide

Properties

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

Identifiers

CAS number
148355-75-3
SMILES
B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O
InChIKey
XUIQQIRLFMCWLN-UHFFFAOYSA-N
InChI
InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3

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

Names and synonyms

1 names
  • 3-Methylsulfonylaminophenylboronic acid

Work with 3-(Methylsulfonylamino)phenylboronic 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

N-Phenylmethanesulfonamide1197-22-453 % similar N-[3-(Dipropylamino)phenyl]methanesulfonamide186453-43-047 % similar 3-Methylphenylboronic acid17933-03-843 % similar (3-Aminophenyl)boronic acid hemisulfate66472-86-442 % similar 3-Fluorophenylboronic acid768-35-441 % similar (3-Hydroxyphenyl)boronic acid87199-18-641 % similar (3-Methoxyphenyl)boronic acid10365-98-740 % similar 3-(Methylthio)benzeneboronic acid128312-11-840 % similar

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

Same formula

[4-(Methylsulfonamido)phenyl]boronic acid380430-57-9 B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-2

Elsewhere

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