3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine

C16H15F2NO2S — CID 174375302

IUPAC3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1)C1NCCC1c1ccccc1F
InChIInChI=1S/C16H15F2NO2S/c17-11-5-7-12(8-6-11)22(20,21)16-14(9-10-19-16)13-3-1-2-4-15(13)18/h1-8,14,16,19H,9-10H2
InChIKeyJQHSJOLZESEKDX-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.84
Rot. Bonds3

About 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine

3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine (PubChem CID 174375302) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine
PubChem CID174375302
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1)C1NCCC1c1ccccc1F
InChIInChI=1S/C16H15F2NO2S/c17-11-5-7-12(8-6-11)22(20,21)16-14(9-10-19-16)13-3-1-2-4-15(13)18/h1-8,14,16,19H,9-10H2
InChIKeyJQHSJOLZESEKDX-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
CID 174374754
3-(4-fluorophenyl)-2-[4-(methoxymethyl)phenyl]sulfonylpyrrolidine
CID 174374753
(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 174917383
methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 7200386
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
3-(2,3-difluorophenyl)-2-methylpyrrolidine
CID 63667430
2-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 115071066
(2S)-2-[[3-(2-fluorophenyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 135362371
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662
3-(4-fluorophenyl)sulfonylcyclopentan-1-amine
CID 64724253
3-(2,4-difluorophenyl)-2-methylpyrrolidine
CID 62354967
4-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 19709499

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine (CID 174375302) is 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)cc1)C1NCCC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is JQHSJOLZESEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-11-5-7-12(8-6-11)22(20,21)16-14(9-10-19-16)13-3-1-2-4-15(13)18/h1-8,14,16,19H,9-10H2.
What are the key properties of 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine?
3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 323.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(4-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 174375302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).