B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid

C7H10BNO4SCAS 756520-78-2215.03 g/mol

Open in Covalent MOL file
SOOHNBHOOH
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
756520-78-2
SMILES
CS(=O)(=O)Nc1ccccc1B(O)O
InChIKey
RPRMOEFOTPSWBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-5-3-2-4-6(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

7 names
  • Boronic acid, B-[2-[(methylsulfonyl)amino]phenyl]-
  • Boronic acid, [2-[(methylsulfonyl)amino]phenyl]-
  • 2-(Methylsulfonylamino)benzeneboronic acid
  • [2-[(Methylsulfonyl)amino]phenyl]boronic acid
  • (2-(Methylsulfonamido)phenyl)boronic acid
  • 2-Methanesulfonylaminophenylboronic acid
  • B-(2-((Methylsulfonyl)amino)phenyl)boronic acid

Work with B-[2-[(Methylsulfonyl)amino]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

Similar compounds

2-(Methanesulfonylamino)phenylboronic acid pinacol ester380430-60-457 % similar 2-Acetamidophenylboronic acid169760-16-149 % similar 2-(Methanesulfonyl)phenylboronic acid330804-03-049 % similar N-Phenylmethanesulfonamide1197-22-447 % similar 2-(Pivalamido)phenylboronic Acid146140-95-645 % similar 2-(N,N-Dimethylsulphamoyl)benzeneboronic acid178432-25-241 % similar 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-141 % similar 2-Methylphenylboronic acid16419-60-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Methylsulfonylamino)phenylboronic acid148355-75-3 (4-Methanesulfonamidophenyl)boronic acid380430-57-9

Elsewhere

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