1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid

C11H11F3N2O4S — CID 122068541

IUPAC1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)9-2-1-8(5-15-9)21(19,20)16-4-3-7(6-16)10(17)18/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeyIPAKIJCRXNUTGO-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.20
Rot. Bonds3

About 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid

1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid (PubChem CID 122068541) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
PubChem CID122068541
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)9-2-1-8(5-15-9)21(19,20)16-4-3-7(6-16)10(17)18/h1-2,5,7H,3-4,6H2,(H,17,18)
InChIKeyIPAKIJCRXNUTGO-UHFFFAOYSA-N
XLogP1.20
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 63030803
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
CID 129398340
(3aR,7aS)-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 97349788
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 120709736
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
CID 163464809
1-[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068419
(3R)-1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 129368746
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 82846589
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid (CID 122068541) is 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IPAKIJCRXNUTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c12-11(13,14)9-2-1-8(5-15-9)21(19,20)16-4-3-7(6-16)10(17)18/h1-2,5,7H,3-4,6H2,(H,17,18).
What are the key properties of 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid?
1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 324.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122068541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).