3-(N,N-dimethylsulphonamido)benzeneboronic acid
Product Information
Molecular Formula
C8H12BNO4S
Molecular Weight
229.06
Description
3-(N,N-dimethylsulphonamido)benzeneboronic acid, a highly versatile compound widely employed in the biomedical industry, serves as a boron-containing reagent pivotal to the synthesis of diverse biologically active molecules. With its profound implications in medicinal chemistry research, this compound exhibits remarkable potential as a tool for the production of prospective anti-cancer, anti-diabetic, and anti-inflammatory drugs.
Synonyms
N,N-Dimethyl 3-Boronobenzenesulfonamide; [3-(Dimethylsulfamoyl)phenyl]boronic acid; 3-(N,N-Dimethylsulphonamido)benzeneboronic acid; Boronic acid, [3-[(dimethylamino)sulfonyl]phenyl]-; 3-(N,N-dimethylsulfamoyl)phenylboronic acid; (3-(N,N-Dimethylsulfamoyl)phenyl)boronicacid; N,N-Dimethyl-3-boronobenzenesulfonamide; 3-(N,N-dimethylsulphonamido)benzeneboronic acid
IUPAC Name
[3-(dimethylsulfamoyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)N(C)C)(O)O
InChI
InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key
SGERXKCDWJPIOS-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
229.0580092 g/mol
Monoisotopic Mass
229.0580092 g/mol
Topological Polar Surface Area
86.2Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
298
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-2021088787-A1 | Quinazoline compound used as axl inhibitor | 2019-11-07 |
| WO-2020242245-A1 | Phthalazinone compounds and use thereof | 2019-05-29 |
| CN-113840820-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| KR-20210137216-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 2018-12-14 |
| WO-2019173761-A1 | C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same | 2018-03-09 |
| US-2021101872-A1 | C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same | 2018-03-09 |
| JP-2020505437-A | Small molecule inhibitors of neutral sphingomyelinase 2 (nSMase2) for the treatment of neurodegenerative diseases | 2017-01-06 |
| KR-20190110106-A | Small molecule inhibitors of neutral sphingomyelinase 2 (nSMAse2) for the treatment of neurodegenerative diseases | 2017-01-06 |
| US-2020190089-A1 | Small molecule inhibitors of neutral sphingomyelinase 2 (nsmase2) for the treatment of neurodegenerative diseases | 2017-01-06 |
