2-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester
Product Information
Molecular Formula
C19H24BNO4S
Molecular Weight
373.27
Description
2-(p-Toluenesulfonylamino)phenylboronic acid pinacol ester is a biochemical used for biomedical applications. It functions as a synthetic intermediate in pharmaceutical production. This compound contributes to the formation of novel kinase inhibitors, crucial for the treatment of cancers and inflammatory diseases.
Synonyms
N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-p-toluenesulfonamide
IUPAC Name
4-methyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H24BNO4S/c1-14-10-12-15(13-11-14)26(22,23)21-17-9-7-6-8-16(17)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3
InChI Key
XJERZPFENBAXMZ-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
97%
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
373.1519096 g/mol
Monoisotopic Mass
373.1519096 g/mol
Topological Polar Surface Area
73Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
577
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
