2-(2-phenylethenylsulfonyl)propanoic acid

C11H12O4S — CID 173278160

IUPAC2-(2-phenylethenylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C11H12O4S/c1-9(11(12)13)16(14,15)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,12,13)
InChIKeyWBSWXLGLWOQXOT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-phenylethenylsulfonyl)propanoic acid

2-(2-phenylethenylsulfonyl)propanoic acid (PubChem CID 173278160) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(2-phenylethenylsulfonyl)propanoic acid.

Molecular Properties

Compound Name2-(2-phenylethenylsulfonyl)propanoic acid
PubChem CID173278160
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-(2-phenylethenylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C11H12O4S/c1-9(11(12)13)16(14,15)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,12,13)
InChIKeyWBSWXLGLWOQXOT-UHFFFAOYSA-N
XLogP1.55
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-phenylethenylsulfonyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenylsulfonyl)propanoic acid?
The IUPAC name of 2-(2-phenylethenylsulfonyl)propanoic acid (CID 173278160) is 2-(2-phenylethenylsulfonyl)propanoic acid.
What is the SMILES notation for 2-(2-phenylethenylsulfonyl)propanoic acid?
The canonical SMILES for 2-(2-phenylethenylsulfonyl)propanoic acid is CC(C(=O)O)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenylsulfonyl)propanoic acid?
The InChIKey is WBSWXLGLWOQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c1-9(11(12)13)16(14,15)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,12,13).
What are the key properties of 2-(2-phenylethenylsulfonyl)propanoic acid?
2-(2-phenylethenylsulfonyl)propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenylsulfonyl)propanoic acid is sourced from PubChem (CID 173278160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).