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

C11H12FNO4S — CID 686685

IUPAC(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m0/s1
InChIKeyISYUAFVYETYRPO-JTQLQIEISA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds3

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

(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 686685) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID686685
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m0/s1
InChIKeyISYUAFVYETYRPO-JTQLQIEISA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 686685) is (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is ISYUAFVYETYRPO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 686685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).