2-thiophen-2-ylsulfonylpropanoic acid

C7H8O4S2 — CID 18416792

IUPAC2-thiophen-2-ylsulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H8O4S2/c1-5(7(8)9)13(10,11)6-3-2-4-12-6/h2-5H,1H3,(H,8,9)
InChIKeyWINAMOZTZMBILY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.99
Rot. Bonds3

About 2-thiophen-2-ylsulfonylpropanoic acid

2-thiophen-2-ylsulfonylpropanoic acid (PubChem CID 18416792) has the molecular formula C7H8O4S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name2-thiophen-2-ylsulfonylpropanoic acid
PubChem CID18416792
Molecular FormulaC7H8O4S2
Molecular Weight220.27 g/mol
Exact Mass219.99
IUPAC Name2-thiophen-2-ylsulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C7H8O4S2/c1-5(7(8)9)13(10,11)6-3-2-4-12-6/h2-5H,1H3,(H,8,9)
InChIKeyWINAMOZTZMBILY-UHFFFAOYSA-N
XLogP0.99
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfonylpropanoic acid?
The IUPAC name of 2-thiophen-2-ylsulfonylpropanoic acid (CID 18416792) is 2-thiophen-2-ylsulfonylpropanoic acid.
What is the SMILES notation for 2-thiophen-2-ylsulfonylpropanoic acid?
The canonical SMILES for 2-thiophen-2-ylsulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfonylpropanoic acid?
The InChIKey is WINAMOZTZMBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S2/c1-5(7(8)9)13(10,11)6-3-2-4-12-6/h2-5H,1H3,(H,8,9).
What are the key properties of 2-thiophen-2-ylsulfonylpropanoic acid?
2-thiophen-2-ylsulfonylpropanoic acid has a molecular weight of 220.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfonylpropanoic acid is sourced from PubChem (CID 18416792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).