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

C8H10O7S2 — CID 63943584

IUPAC5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H10O7S2/c1-16(11,12)4-5-17(13,14)7-3-2-6(15-7)8(9)10/h2-3H,4-5H2,1H3,(H,9,10)
InChIKeyKYBMRPURDMFVNN-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.20
Rot. Bonds5

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

5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid (PubChem CID 63943584) has the molecular formula C8H10O7S2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid
PubChem CID63943584
Molecular FormulaC8H10O7S2
Molecular Weight282.30 g/mol
Exact Mass281.99
IUPAC Name5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid
SMILESCS(=O)(=O)CCS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H10O7S2/c1-16(11,12)4-5-17(13,14)7-3-2-6(15-7)8(9)10/h2-3H,4-5H2,1H3,(H,9,10)
InChIKeyKYBMRPURDMFVNN-UHFFFAOYSA-N
XLogP-0.20
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
CID 63943954
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
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
5-(2,2,2-trifluoroethoxymethylsulfonyl)furan-2-carboxylic acid
CID 106704914
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
CID 63943374
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid (CID 63943584) is 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid is CS(=O)(=O)CCS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid?
The InChIKey is KYBMRPURDMFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O7S2/c1-16(11,12)4-5-17(13,14)7-3-2-6(15-7)8(9)10/h2-3H,4-5H2,1H3,(H,9,10).
What are the key properties of 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid?
5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid is sourced from PubChem (CID 63943584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).