(2-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid

C₁₀H₁₄BNO₄SCAS 913835-83-3255.09 g/mol

Open in Covalent MOL file

Boronic acid Sulfonamide

Properties

Molecular formula: C₁₀H₁₄BNO₄S
Molar mass: 255.09 g/mol
Exact mass: 255.0737 Da
logP: -0.85Crippen 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

913835-83-3

SMILES

B(C1=CC=CC=C1S(=O)(=O)N2CCCC2)(O)O

InChIKey

ONRDSHCJDLWHKN-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BNO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2

Weigh it out

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Names and synonyms

1 names

2-(Pyrrolidin-1-ylsulphonyl)benzeneboronic acid 97

Work with (2-(Pyrrolidin-1-ylsulfonyl)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-(N,N-Dimethylsulphamoyl)benzeneboronic acid178432-25-262 % similar 2-(Methanesulfonyl)phenylboronic acid330804-03-050 % similar 2-Formylphenylboronic acid40138-16-739 % similar 4-(Pyrrolidine-1-sulfonyl)aniline88327-91-739 % similar 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-138 % similar Fasudil103745-39-738 % similar B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-236 % similar 2-Hydroxymethylphenylboronic acid87199-14-236 % similar

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

Elsewhere

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