4-bromo-3-fluoro-2-hydroxybenzenesulfonamide

C6H5BrFNO3S — CID 130924167

IUPAC4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(F)c1O
InChIInChI=1S/C6H5BrFNO3S/c7-3-1-2-4(13(9,11)12)6(10)5(3)8/h1-2,10H,(H2,9,11,12)
InChIKeySXCDHETYTJHHOO-UHFFFAOYSA-N
MW270.08 g/mol
LogP0.94
Rot. Bonds1

About 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide

4-bromo-3-fluoro-2-hydroxybenzenesulfonamide (PubChem CID 130924167) has the molecular formula C6H5BrFNO3S and a molecular weight of 270.08 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
PubChem CID130924167
Molecular FormulaC6H5BrFNO3S
Molecular Weight270.08 g/mol
Exact Mass268.92
IUPAC Name4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(F)c1O
InChIInChI=1S/C6H5BrFNO3S/c7-3-1-2-4(13(9,11)12)6(10)5(3)8/h1-2,10H,(H2,9,11,12)
InChIKeySXCDHETYTJHHOO-UHFFFAOYSA-N
XLogP0.94
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide (CID 130924167) is 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(F)c1O.
What is the InChIKey of 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide?
The InChIKey is SXCDHETYTJHHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO3S/c7-3-1-2-4(13(9,11)12)6(10)5(3)8/h1-2,10H,(H2,9,11,12).
What are the key properties of 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide?
4-bromo-3-fluoro-2-hydroxybenzenesulfonamide has a molecular weight of 270.08 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 130924167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).