3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine

C11H13F2NO2S — CID 117407174

IUPAC3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(C2CCNC2)c(F)c1F
InChIInChI=1S/C11H13F2NO2S/c1-17(15,16)9-3-2-8(10(12)11(9)13)7-4-5-14-6-7/h2-3,7,14H,4-6H2,1H3
InChIKeyUWAUXYUQZKBHSZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.45
Rot. Bonds2

About 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine

3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine (PubChem CID 117407174) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
PubChem CID117407174
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(C2CCNC2)c(F)c1F
InChIInChI=1S/C11H13F2NO2S/c1-17(15,16)9-3-2-8(10(12)11(9)13)7-4-5-14-6-7/h2-3,7,14H,4-6H2,1H3
InChIKeyUWAUXYUQZKBHSZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine 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

3-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463652
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117435702
3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
CID 66876690
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
3-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386774
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
CID 117467306
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
5-methylsulfonyl-2-pyrrolidin-3-ylpyrimidin-4-amine
CID 82386822

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine (CID 117407174) is 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1ccc(C2CCNC2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
The InChIKey is UWAUXYUQZKBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-17(15,16)9-3-2-8(10(12)11(9)13)7-4-5-14-6-7/h2-3,7,14H,4-6H2,1H3.
What are the key properties of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine has a molecular weight of 261.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117407174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).