5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid

C8H10O6S — CID 63943954

IUPAC5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
SMILESCOCCS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H10O6S/c1-13-4-5-15(11,12)7-3-2-6(14-7)8(9)10/h2-3H,4-5H2,1H3,(H,9,10)
InChIKeyAFWBNHDBLRWGAS-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.40
Rot. Bonds5

About 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid

5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid (PubChem CID 63943954) has the molecular formula C8H10O6S and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
PubChem CID63943954
Molecular FormulaC8H10O6S
Molecular Weight234.23 g/mol
Exact Mass234.02
IUPAC Name5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
SMILESCOCCS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H10O6S/c1-13-4-5-15(11,12)7-3-2-6(14-7)8(9)10/h2-3H,4-5H2,1H3,(H,9,10)
InChIKeyAFWBNHDBLRWGAS-UHFFFAOYSA-N
XLogP0.40
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid
CID 63943584
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-(2,2,2-trifluoroethoxymethylsulfonyl)furan-2-carboxylic acid
CID 106704914
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[(3,4-dichlorophenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63943575
potassium 5-carboxyfuran-2-sulfonate
CID 90486300
5-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfonylfuran-2-carboxylic acid
CID 63943573
2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 43141002
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid (CID 63943954) is 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid is COCCS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid?
The InChIKey is AFWBNHDBLRWGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6S/c1-13-4-5-15(11,12)7-3-2-6(14-7)8(9)10/h2-3H,4-5H2,1H3,(H,9,10).
What are the key properties of 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid?
5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid is sourced from PubChem (CID 63943954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).