1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid

C10H11FN2O4S — CID 55150632

IUPAC1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C10H11FN2O4S/c11-8-3-9(5-12-4-8)18(16,17)13-2-1-7(6-13)10(14)15/h3-5,7H,1-2,6H2,(H,14,15)
InChIKeyXMFYFYWKIUVXSR-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.32
Rot. Bonds3

About 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid

1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid (PubChem CID 55150632) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid
PubChem CID55150632
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C10H11FN2O4S/c11-8-3-9(5-12-4-8)18(16,17)13-2-1-7(6-13)10(14)15/h3-5,7H,1-2,6H2,(H,14,15)
InChIKeyXMFYFYWKIUVXSR-UHFFFAOYSA-N
XLogP0.32
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid (CID 55150632) is 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cncc(F)c2)C1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XMFYFYWKIUVXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c11-8-3-9(5-12-4-8)18(16,17)13-2-1-7(6-13)10(14)15/h3-5,7H,1-2,6H2,(H,14,15).
What are the key properties of 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid?
1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55150632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).