2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid

C11H12FNO4S — CID 118209321

IUPAC2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4S/c12-8-3-5-9(6-4-8)18(16,17)10-2-1-7-13(10)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)
InChIKeyLPPHRKABELNLIN-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.70
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid

2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid (PubChem CID 118209321) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid
PubChem CID118209321
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4S/c12-8-3-5-9(6-4-8)18(16,17)10-2-1-7-13(10)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)
InChIKeyLPPHRKABELNLIN-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid (CID 118209321) is 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid?
The InChIKey is LPPHRKABELNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-8-3-5-9(6-4-8)18(16,17)10-2-1-7-13(10)11(14)15/h3-6,10H,1-2,7H2,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid?
2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118209321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).