2-(4-phenylphenyl)sulfonylpropanoic acid

C15H14O4S — CID 515128

IUPAC2-(4-phenylphenyl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c1-11(15(16)17)20(18,19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)
InChIKeyHHAXEJZXVILWHM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-phenylphenyl)sulfonylpropanoic acid

2-(4-phenylphenyl)sulfonylpropanoic acid (PubChem CID 515128) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-phenylphenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)sulfonylpropanoic acid
PubChem CID515128
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(4-phenylphenyl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c1-11(15(16)17)20(18,19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)
InChIKeyHHAXEJZXVILWHM-UHFFFAOYSA-N
XLogP2.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)sulfonylpropanoic acid?
The IUPAC name of 2-(4-phenylphenyl)sulfonylpropanoic acid (CID 515128) is 2-(4-phenylphenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(4-phenylphenyl)sulfonylpropanoic acid?
The canonical SMILES for 2-(4-phenylphenyl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)sulfonylpropanoic acid?
The InChIKey is HHAXEJZXVILWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-11(15(16)17)20(18,19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17).
What are the key properties of 2-(4-phenylphenyl)sulfonylpropanoic acid?
2-(4-phenylphenyl)sulfonylpropanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)sulfonylpropanoic acid is sourced from PubChem (CID 515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).