2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid

C11H9FO6S — CID 23075202

IUPAC2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(S(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C11H9FO6S/c12-7-1-3-8(4-2-7)19(16,17)11(10(14)15)6-5-9(13)18-11/h1-4H,5-6H2,(H,14,15)
InChIKeyUHYMLOVEMWOWIH-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.72
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid

2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid (PubChem CID 23075202) has the molecular formula C11H9FO6S and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
PubChem CID23075202
Molecular FormulaC11H9FO6S
Molecular Weight288.25 g/mol
Exact Mass288.01
IUPAC Name2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)(S(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C11H9FO6S/c12-7-1-3-8(4-2-7)19(16,17)11(10(14)15)6-5-9(13)18-11/h1-4H,5-6H2,(H,14,15)
InChIKeyUHYMLOVEMWOWIH-UHFFFAOYSA-N
XLogP0.72
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Benzenesulfonylmethyl)-3-hydroxy-tetrahydrofuran-2-one
CID 390944
2-(4-Fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid
CID 10015262
2-(2,4-Difluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid
CID 10265341
Ethyl 2-(4-fluorophenyl)sulfonyl-2-hydroxypropanoate
CID 9856835
2-(2,4-Difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
CID 23075205
5-[(2-Fluorophenyl)sulfonylmethyl]oxolane-2-carboxylic acid
CID 55054170
5-[(3,4-Difluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 55054269
5-[(4-Fluorophenyl)sulfonylmethyl]oxolane-2-carboxylic acid
CID 62298362
5-[(3,4-Difluorophenyl)sulfonylmethyl]oxolane-2-carboxylic acid
CID 62298888
5-[(2,4-Difluorophenyl)sulfonylmethyl]oxolane-2-carboxylic acid
CID 62299060
5-[(4-Fluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 62299429
5-[(2-Fluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 62299618

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid (CID 23075202) is 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid is O=C1CCC(C(=O)O)(S(=O)(=O)c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
The InChIKey is UHYMLOVEMWOWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO6S/c12-7-1-3-8(4-2-7)19(16,17)11(10(14)15)6-5-9(13)18-11/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid?
2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 23075202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).