2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid

C10H10ClFO4S — CID 58198538

IUPAC2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFO4S/c1-10(2,9(13)14)17(15,16)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBYIBCBCYEIDXHC-UHFFFAOYSA-N
MW280.70 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid

2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid (PubChem CID 58198538) has the molecular formula C10H10ClFO4S and a molecular weight of 280.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid
PubChem CID58198538
Molecular FormulaC10H10ClFO4S
Molecular Weight280.70 g/mol
Exact Mass280.00
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFO4S/c1-10(2,9(13)14)17(15,16)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H,13,14)
InChIKeyBYIBCBCYEIDXHC-UHFFFAOYSA-N
XLogP2.12
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic 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-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid (CID 58198538) is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid?
The InChIKey is BYIBCBCYEIDXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO4S/c1-10(2,9(13)14)17(15,16)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid?
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid has a molecular weight of 280.70 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 58198538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).