benzenesulfonamide-3-boronic acid pinacol ester
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
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
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
283.1049594 g/mol
Monoisotopic Mass
283.1049594 g/mol
Topological Polar Surface Area
87Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
427
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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-γ inhibitor | 2016-06-24 |
| US-10227331-B2 | Metallo-β-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 |
