3-(4-phenylphenyl)sulfonylpropanoic acid

C15H14O4S — CID 515130

IUPAC3-(4-phenylphenyl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c16-15(17)10-11-20(18,19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKeyOUCMSPRRFDRFMR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-phenylphenyl)sulfonylpropanoic acid

3-(4-phenylphenyl)sulfonylpropanoic acid (PubChem CID 515130) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(4-phenylphenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(4-phenylphenyl)sulfonylpropanoic acid
PubChem CID515130
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name3-(4-phenylphenyl)sulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c16-15(17)10-11-20(18,19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKeyOUCMSPRRFDRFMR-UHFFFAOYSA-N
XLogP2.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-(4-phenylphenyl)sulfonylpropanoic acid?
The IUPAC name of 3-(4-phenylphenyl)sulfonylpropanoic acid (CID 515130) is 3-(4-phenylphenyl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(4-phenylphenyl)sulfonylpropanoic acid?
The canonical SMILES for 3-(4-phenylphenyl)sulfonylpropanoic acid is O=C(O)CCS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)sulfonylpropanoic acid?
The InChIKey is OUCMSPRRFDRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c16-15(17)10-11-20(18,19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17).
What are the key properties of 3-(4-phenylphenyl)sulfonylpropanoic acid?
3-(4-phenylphenyl)sulfonylpropanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)sulfonylpropanoic acid is sourced from PubChem (CID 515130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).