3-(N,N-diethylsulphamoyl)benzeneboronic acid

Inquiry

Molecular Formula:

C10H16BNO4S

Molecular Weight:

257.11

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

257.0893093 g/mol

Monoisotopic Mass

257.0893093 g/mol

Topological Polar Surface Area

86.2Å²

Heavy Atom Count

Formal Charge

Complexity

324

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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3-(N,N-diethylsulphamoyl)benzeneboronic acid

Product Information

Computed Properties

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