3-(N,N-diethylsulphamoyl)benzeneboronic acid

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Product Information

Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.11
Description
3-(N,N-diethylsulphamoyl)benzeneboronic acid has a powerful boronic acid function and shows excellent potential in drug development for cancer, diabetes, and inflammatory diseases.
Synonyms
N,N-Diethyl 3-boronobenzenesulfonamide; (3-(N,N-Diethylsulfamoyl)phenyl)boronic acid; [3-(diethylsulfamoyl)phenyl]boronic acid; Boronic acid,B-[3-[(diethylamino)sulfonyl]phenyl]-; N,N-Diethyl-3-boronobenzenesulfonamide; (3-(N,N-Diethylsulfamoyl)phenyl)boronicacid; 3-(N,N-Diethylsulphamoyl)benzeneboronic acid; 3-(N,N-diethylsulphamoyl)benzeneboronic acid
IUPAC Name
[3-(diethylsulfamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)S(=O)(=O)N(CC)CC)(O)O
InChI
InChI=1S/C10H16BNO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
InChI Key
PSMCZVAPCNNYTE-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
257.0893093 g/mol
Monoisotopic Mass
257.0893093 g/mol
Topological Polar Surface Area
86.2Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
324
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
The molarity calculator equation

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

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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