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

C11H12FNO4S — CID 3751853

IUPAC1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)
InChIKeyMMRFYVHZNFNROR-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds3

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

1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 3751853) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID3751853
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)
InChIKeyMMRFYVHZNFNROR-UHFFFAOYSA-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 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 3751853) is 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is MMRFYVHZNFNROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7H2,(H,14,15).
What are the key properties of 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(2-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 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3751853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).