2-(5-chloro-2-fluorophenyl)sulfonylacetic acid

C8H6ClFO4S — CID 82481568

IUPAC2-(5-chloro-2-fluorophenyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C8H6ClFO4S/c9-5-1-2-6(10)7(3-5)15(13,14)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyVDRJVRBKJMVNPA-UHFFFAOYSA-N
MW252.65 g/mol
LogP1.34
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid

2-(5-chloro-2-fluorophenyl)sulfonylacetic acid (PubChem CID 82481568) has the molecular formula C8H6ClFO4S and a molecular weight of 252.65 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)sulfonylacetic acid
PubChem CID82481568
Molecular FormulaC8H6ClFO4S
Molecular Weight252.65 g/mol
Exact Mass251.97
IUPAC Name2-(5-chloro-2-fluorophenyl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C8H6ClFO4S/c9-5-1-2-6(10)7(3-5)15(13,14)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyVDRJVRBKJMVNPA-UHFFFAOYSA-N
XLogP1.34
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid (CID 82481568) is 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid is O=C(O)CS(=O)(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid?
The InChIKey is VDRJVRBKJMVNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO4S/c9-5-1-2-6(10)7(3-5)15(13,14)4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid?
2-(5-chloro-2-fluorophenyl)sulfonylacetic acid has a molecular weight of 252.65 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)sulfonylacetic acid is sourced from PubChem (CID 82481568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).