3-(pyrrolidin-1-ylsulfonyl)phenylboronic acid
Product Information
Molecular Formula
C10H14BNO4S
Molecular Weight
255.10
Description
3-(pyrrolidin-1-ylsulfonyl)phenylboronic acid can be used in drug development for diseases such as cancer, diabetes, and inflammation.
Synonyms
3-(pyrrolidinylsulfonyl)phenylboronic acid; (3-pyrrolidin-1-ylsulfonylphenyl)boronic acid; 3-(pyrrolidin-1-ylsulfonyl)phenylboronic acid; 3-(Pyrrolidin-1-ylsulphonyl)benzeneboronic acid; (3-(Pyrrolidin-1-ylsulfonyl)phenyl)boronicacid; Boronic acid,B-[3-(1-pyrrolidinylsulfonyl)phenyl]-; [3-(Pyrrolizinosulfonyl)phenyl]boronic acid; 3-(1-Pyrrolidinylsulfonyl)phenylboronic acid; 3-(1-Pyrrolidinylsulfonyl)benzeneboronic acid; [3-(Pyrrolidine-1-sulfonyl)phenyl]boronic acid
IUPAC Name
(3-pyrrolidin-1-ylsulfonylphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)S(=O)(=O)N2CCCC2)(O)O
InChI
InChI=1S/C10H14BNO4S/c13-11(14)9-4-3-5-10(8-9)17(15,16)12-6-1-2-7-12/h3-5,8,13-14H,1-2,6-7H2
InChI Key
RCRUXZHMXFQVRF-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
255.0736593 g/mol
Monoisotopic Mass
255.0736593 g/mol
Topological Polar Surface Area
86.2Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
348
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
