2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine

C16H22FNO2S — CID 61045786

IUPAC2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H22FNO2S/c17-14-9-4-5-11-16(14)21(19,20)18-12-6-10-15(18)13-7-2-1-3-8-13/h4-5,9,11,13,15H,1-3,6-8,10,12H2
InChIKeyHWYOTZNYFIKRBP-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.56
Rot. Bonds3

About 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine

2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine (PubChem CID 61045786) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
PubChem CID61045786
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1F)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H22FNO2S/c17-14-9-4-5-11-16(14)21(19,20)18-12-6-10-15(18)13-7-2-1-3-8-13/h4-5,9,11,13,15H,1-3,6-8,10,12H2
InChIKeyHWYOTZNYFIKRBP-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
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2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
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[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)phenyl]hydrazine
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1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine (CID 61045786) is 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccccc1F)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is HWYOTZNYFIKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c17-14-9-4-5-11-16(14)21(19,20)18-12-6-10-15(18)13-7-2-1-3-8-13/h4-5,9,11,13,15H,1-3,6-8,10,12H2.
What are the key properties of 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine?
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 311.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 61045786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).