2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol

C13H17ClFNO3S — CID 62357974

IUPAC2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCC(CCO)C1
InChIInChI=1S/C13H17ClFNO3S/c14-11-3-4-13(12(15)8-11)20(18,19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9H2
InChIKeyINFATYJPKKSDQB-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.26
Rot. Bonds4

About 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol

2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 62357974) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol
PubChem CID62357974
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCC(CCO)C1
InChIInChI=1S/C13H17ClFNO3S/c14-11-3-4-13(12(15)8-11)20(18,19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9H2
InChIKeyINFATYJPKKSDQB-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91905215
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CID 91905219
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CID 26395446
CID 26395446
CID 26397754
CID 26397754
CID 51080705
CID 51080705
CID 164630812
CID 164630812
CID 43589698
CID 43589698
CID 62689746
CID 62689746
CID 67367927
CID 67367927
CID 67367928
CID 67367928
CID 67368243
CID 67368243
CID 67368245
CID 67368245

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol (CID 62357974) is 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol is O=S(=O)(c1ccc(Cl)cc1F)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is INFATYJPKKSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c14-11-3-4-13(12(15)8-11)20(18,19)16-6-1-2-10(9-16)5-7-17/h3-4,8,10,17H,1-2,5-7,9H2.
What are the key properties of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 321.80 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 62357974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).