1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone

C12H11ClF3NO3S — CID 90587784

IUPAC1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1)C(F)(F)F
InChIInChI=1S/C12H11ClF3NO3S/c13-8-1-3-9(4-2-8)21(19,20)10-5-6-17(7-10)11(18)12(14,15)16/h1-4,10H,5-7H2
InChIKeyGLXOEUOBLFUNEV-UHFFFAOYSA-N
MW341.74 g/mol
LogP2.28
Rot. Bonds2

About 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 90587784) has the molecular formula C12H11ClF3NO3S and a molecular weight of 341.74 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID90587784
Molecular FormulaC12H11ClF3NO3S
Molecular Weight341.74 g/mol
Exact Mass341.01
IUPAC Name1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1)C(F)(F)F
InChIInChI=1S/C12H11ClF3NO3S/c13-8-1-3-9(4-2-8)21(19,20)10-5-6-17(7-10)11(18)12(14,15)16/h1-4,10H,5-7H2
InChIKeyGLXOEUOBLFUNEV-UHFFFAOYSA-N
XLogP2.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 90587784) is 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1)C(F)(F)F.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is GLXOEUOBLFUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO3S/c13-8-1-3-9(4-2-8)21(19,20)10-5-6-17(7-10)11(18)12(14,15)16/h1-4,10H,5-7H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 341.74 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 90587784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).