2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid

C14H11FO4S — CID 515127

IUPAC2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid
SMILESO=C(O)C(F)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11FO4S/c15-13(14(16)17)20(18,19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyKQQGUCWMLOHUTC-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.51
Rot. Bonds4

About 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid

2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid (PubChem CID 515127) has the molecular formula C14H11FO4S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid
PubChem CID515127
Molecular FormulaC14H11FO4S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid
SMILESO=C(O)C(F)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H11FO4S/c15-13(14(16)17)20(18,19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKeyKQQGUCWMLOHUTC-UHFFFAOYSA-N
XLogP2.51
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid?
The IUPAC name of 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid (CID 515127) is 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid.
What is the SMILES notation for 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid?
The canonical SMILES for 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid is O=C(O)C(F)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid?
The InChIKey is KQQGUCWMLOHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4S/c15-13(14(16)17)20(18,19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,16,17).
What are the key properties of 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid?
2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid has a molecular weight of 294.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-phenylphenyl)sulfonylacetic acid is sourced from PubChem (CID 515127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).