2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid

C11H8F2O6S — CID 23075205

IUPAC2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(S(=O)(=O)c2ccc(F)cc2F)O1
InChIInChI=1S/C11H8F2O6S/c12-6-1-2-8(7(13)5-6)20(17,18)11(10(15)16)4-3-9(14)19-11/h1-2,5H,3-4H2,(H,15,16)
InChIKeyHWCPTQMBHSJJRT-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.86
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid

2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid (PubChem CID 23075205) has the molecular formula C11H8F2O6S and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
PubChem CID23075205
Molecular FormulaC11H8F2O6S
Molecular Weight306.24 g/mol
Exact Mass306.00
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(S(=O)(=O)c2ccc(F)cc2F)O1
InChIInChI=1S/C11H8F2O6S/c12-6-1-2-8(7(13)5-6)20(17,18)11(10(15)16)4-3-9(14)19-11/h1-2,5H,3-4H2,(H,15,16)
InChIKeyHWCPTQMBHSJJRT-UHFFFAOYSA-N
XLogP0.86
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid (CID 23075205) is 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid is O=C1CCC(C(=O)O)(S(=O)(=O)c2ccc(F)cc2F)O1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
The InChIKey is HWCPTQMBHSJJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O6S/c12-6-1-2-8(7(13)5-6)20(17,18)11(10(15)16)4-3-9(14)19-11/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid has a molecular weight of 306.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 23075205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).