2-(5-fluoro-2-sulfamoylphenyl)acetic acid

C8H8FNO4S — CID 141356629

IUPAC2-(5-fluoro-2-sulfamoylphenyl)acetic acid
SMILESNS(=O)(=O)c1ccc(F)cc1CC(=O)O
InChIInChI=1S/C8H8FNO4S/c9-6-1-2-7(15(10,13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)(H2,10,13,14)
InChIKeyKKZQSVDTDWBXCT-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.10
Rot. Bonds3

About 2-(5-fluoro-2-sulfamoylphenyl)acetic acid

2-(5-fluoro-2-sulfamoylphenyl)acetic acid (PubChem CID 141356629) has the molecular formula C8H8FNO4S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-sulfamoylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-sulfamoylphenyl)acetic acid
PubChem CID141356629
Molecular FormulaC8H8FNO4S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-(5-fluoro-2-sulfamoylphenyl)acetic acid
SMILESNS(=O)(=O)c1ccc(F)cc1CC(=O)O
InChIInChI=1S/C8H8FNO4S/c9-6-1-2-7(15(10,13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)(H2,10,13,14)
InChIKeyKKZQSVDTDWBXCT-UHFFFAOYSA-N
XLogP0.10
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-sulfamoylphenyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-sulfamoylphenyl)acetic acid (CID 141356629) is 2-(5-fluoro-2-sulfamoylphenyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-sulfamoylphenyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-sulfamoylphenyl)acetic acid is NS(=O)(=O)c1ccc(F)cc1CC(=O)O.
What is the InChIKey of 2-(5-fluoro-2-sulfamoylphenyl)acetic acid?
The InChIKey is KKZQSVDTDWBXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4S/c9-6-1-2-7(15(10,13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(5-fluoro-2-sulfamoylphenyl)acetic acid?
2-(5-fluoro-2-sulfamoylphenyl)acetic acid has a molecular weight of 233.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-sulfamoylphenyl)acetic acid is sourced from PubChem (CID 141356629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).