benzenesulfonamide-3-boronic acid pinacol ester

Inquiry

Molecular Formula:

C12H18BNO4S

Molecular Weight:

283.15

Product Information

Molecular Formula:

C12H18BNO4S

Molecular Weight:

283.15

Description

Benzenesulfonamide-3-boronic acid pinacol ester is a remarkable chemical entity renowned in the realms of the biomedical industry. Ostensibly engrossed as a pivotal intermediate within pharmaceutical synthesis, its profound modus operandi revolves around selectively impeding enzymatic or receptor entanglements closely associated with afflictions of multifarious nature.

Synonyms

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENESULFONAMIDE; BENZENESULFONAMIDE-3-BORONIC ACID PINACOL ESTER; 3-Boronobenzenesulfonamide, pinacol ester; BENZENESULFONAMIDE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-; 3-Sulfamoylphenylboronic Acid Pinacol Ester; (3-SULFAMOYLPHENYL)BORONIC ACID PINACOL ESTER; 3-Boronobenzenesulfonamide,pinacol ester; benzenesulfon-amide-3-boronic acid pinacol ester; benzenesulfonamide-3-boronic acid pinacol ester; 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide; 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzenesulfonamide; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenesulfonamide; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

IUPAC Name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16)

InChI Key

OHKKUZJVWWPUNY-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

283.1049594 g/mol

Monoisotopic Mass

283.1049594 g/mol

Topological Polar Surface Area

87Å²

Heavy Atom Count

Formal Charge

Complexity

427

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2022026892-A1	Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers	2020-07-31
TW-201803871-A	Heterocyclic compound as PI3K-Î³ inhibitor	2016-06-24
US-10227331-B2	Metallo-Î²-lactamase inhibitors	2015-06-26
US-2018179190-A1	Metallo-beta-lactamase inhibitors	2015-06-26
WO-2016206101-A1	Metallo-beta-lactamase inhibitors	2015-06-26
EP-3303318-A1	Benzoxazinone derivatives and analogues thereof as modulators of tnf activity	2015-06-08
US-10287299-B2	Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity	2015-06-08
US-2018134728-A1	Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity	2015-06-08
WO-2016198400-A1	Benzoxazinone derivatives and analogues thereof as modulators of tnf activity	2015-06-08
AU-2016261031-A1	Substituted quinoxaline derivatives	2015-05-13

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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benzenesulfonamide-3-boronic acid pinacol ester

Product Information

Computed Properties

Patents

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