(4-Methanesulfonamidophenyl)boronic acid

C₇H₁₀BNO₄SCAS 380430-57-9215.03 g/mol

Open in Covalent MOL file

Boronic acid Sulfonamide

Properties

Molecular formula: C₇H₁₀BNO₄S
Molar mass: 215.03 g/mol
Exact mass: 215.0424 Da
logP: -1.26Crippen estimate
Polar surface area: 86.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

380430-57-9

SMILES

CS(=O)(=O)Nc1ccc(B(O)O)cc1

InChIKey

NDVJJEADFLTFCD-UHFFFAOYSA-N

InChI

InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)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

9 names

[4-(Methylsulfonamido)phenyl]boronic acid
Boronic acid, B-[4-[(methylsulfonyl)amino]phenyl]-
Boronic acid, [4-[(methylsulfonyl)amino]phenyl]-
B-[4-[(Methylsulfonyl)amino]phenyl]boronic acid
4-N-Methanesulfonamidophenylboronic acid
4-Methylsulfonylaminophenylboronic acid
[4-[(Methanesulfonyl)amino]phenyl]boronic acid
4-(Dihydroxyboryl)-N-(methylsulfonyl)phenylamine
[4-(Methanesulfonamido)phenyl]boronic acid

Work with (4-Methanesulfonamidophenyl)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

N-Phenylmethanesulfonamide1197-22-455 % similar 4-(Methylsulfonyl)phenylboronic acid149104-88-150 % similar 4-Acetamidophenylboronic acid101251-09-646 % similar 1,4-Benzenediboronic acid4612-26-444 % similar N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide64488-52-444 % similar Sotalol3930-20-943 % similar 4-(Ethylsulphonyl)benzeneboronic acid352530-24-642 % similar 4-(N,N-Dimethylsulphonamido)benzeneboronic acid486422-59-742 % similar

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

Same formula

3-(Methylsulfonylamino)phenylboronic acid148355-75-3 B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-2

Elsewhere

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