(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

C12H11F3NO4S- — CID 2384446

IUPAC(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO4S/c13-12(14,15)8-4-1-2-6-10(8)21(19,20)16-7-3-5-9(16)11(17)18/h1-2,4,6,9H,3,5,7H2,(H,17,18)/p-1/t9-/m1/s1
InChIKeyGIXSYXMUHHKVPS-SECBINFHSA-M
MW322.28 g/mol
LogP0.61
Rot. Bonds3

About (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate (PubChem CID 2384446) has the molecular formula C12H11F3NO4S- and a molecular weight of 322.28 g/mol. Its IUPAC name is (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
PubChem CID2384446
Molecular FormulaC12H11F3NO4S-
Molecular Weight322.28 g/mol
Exact Mass322.04
IUPAC Name(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO4S/c13-12(14,15)8-4-1-2-6-10(8)21(19,20)16-7-3-5-9(16)11(17)18/h1-2,4,6,9H,3,5,7H2,(H,17,18)/p-1/t9-/m1/s1
InChIKeyGIXSYXMUHHKVPS-SECBINFHSA-M
XLogP0.61
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate 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-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
1-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]butan-1-one
CID 68644078
(2S)-N-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 8019206
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 43123375
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 4881632
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methyl acetate
CID 68644141
(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 7201386
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6921969

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate (CID 2384446) is (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate is O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate?
The InChIKey is GIXSYXMUHHKVPS-SECBINFHSA-M. The full InChI is InChI=1S/C12H12F3NO4S/c13-12(14,15)8-4-1-2-6-10(8)21(19,20)16-7-3-5-9(16)11(17)18/h1-2,4,6,9H,3,5,7H2,(H,17,18)/p-1/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate?
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate has a molecular weight of 322.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 2384446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).