2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid

C13H12FNO6S — CID 139003592

IUPAC2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F
InChIInChI=1S/C13H12FNO6S/c14-11-6-10(3-4-12(11)21-8-13(16)17)22(18,19)15-7-9-2-1-5-20-9/h1-6,15H,7-8H2,(H,16,17)
InChIKeyLJFQWJBCTMFIGR-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.36
Rot. Bonds7

About 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid

2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid (PubChem CID 139003592) has the molecular formula C13H12FNO6S and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid
PubChem CID139003592
Molecular FormulaC13H12FNO6S
Molecular Weight329.31 g/mol
Exact Mass329.04
IUPAC Name2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F
InChIInChI=1S/C13H12FNO6S/c14-11-6-10(3-4-12(11)21-8-13(16)17)22(18,19)15-7-9-2-1-5-20-9/h1-6,15H,7-8H2,(H,16,17)
InChIKeyLJFQWJBCTMFIGR-UHFFFAOYSA-N
XLogP1.36
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid (CID 139003592) is 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid?
The InChIKey is LJFQWJBCTMFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO6S/c14-11-6-10(3-4-12(11)21-8-13(16)17)22(18,19)15-7-9-2-1-5-20-9/h1-6,15H,7-8H2,(H,16,17).
What are the key properties of 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid?
2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid has a molecular weight of 329.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(furan-2-ylmethylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 139003592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).