2-bromo-5-fluoro-4-hydroxybenzenesulfonamide

C6H5BrFNO3S — CID 119014938

IUPAC2-bromo-5-fluoro-4-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(O)cc1Br
InChIInChI=1S/C6H5BrFNO3S/c7-3-1-5(10)4(8)2-6(3)13(9,11)12/h1-2,10H,(H2,9,11,12)
InChIKeyCSHFUYFPDFRKLT-UHFFFAOYSA-N
MW270.08 g/mol
LogP0.94
Rot. Bonds1

About 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide

2-bromo-5-fluoro-4-hydroxybenzenesulfonamide (PubChem CID 119014938) has the molecular formula C6H5BrFNO3S and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-4-hydroxybenzenesulfonamide
PubChem CID119014938
Molecular FormulaC6H5BrFNO3S
Molecular Weight270.08 g/mol
Exact Mass268.92
IUPAC Name2-bromo-5-fluoro-4-hydroxybenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(O)cc1Br
InChIInChI=1S/C6H5BrFNO3S/c7-3-1-5(10)4(8)2-6(3)13(9,11)12/h1-2,10H,(H2,9,11,12)
InChIKeyCSHFUYFPDFRKLT-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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Related Compounds

5-amino-4-bromo-2-fluorophenol
CID 74892030
2-bromo-4,5-bis(trifluoromethyl)benzenesulfonamide
CID 118845609
tert-butyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65382446
4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
CID 130924167
propyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65379597
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
2-bromo-5-iodo-4-methylbenzenesulfonamide
CID 171033366

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide?
The IUPAC name of 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide (CID 119014938) is 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide?
The canonical SMILES for 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide is NS(=O)(=O)c1cc(F)c(O)cc1Br.
What is the InChIKey of 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide?
The InChIKey is CSHFUYFPDFRKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO3S/c7-3-1-5(10)4(8)2-6(3)13(9,11)12/h1-2,10H,(H2,9,11,12).
What are the key properties of 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide?
2-bromo-5-fluoro-4-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 2-bromo-5-fluoro-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 119014938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).