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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

Weigh it out

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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 3-(Methylsulfonyl)phenylboronic acid373384-18-051 % similar 3-Acetamidophenylboronic acid78887-39-551 % similar 3-Ethylsulfonylphenylboronic acid845870-47-548 % similar 1,3-Benzenediboronic acid4612-28-647 % similar N-[3-(Dipropylamino)phenyl]methanesulfonamide186453-43-047 % similar (3-Boc-aminophenyl)boronic acid380430-68-245 % similar (M-Acrylamidophenyl)boronic acid99349-68-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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