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

C13H17ClFNO3S — CID 60957878

IUPAC2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCCC1CCO
InChIInChI=1S/C13H17ClFNO3S/c14-10-4-5-13(12(15)9-10)20(18,19)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17H,1-3,6-8H2
InChIKeyFTEXMQNOBHRGBY-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.40
Rot. Bonds4

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

2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 60957878) 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-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID60957878
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESO=S(=O)(c1ccc(Cl)cc1F)N1CCCCC1CCO
InChIInChI=1S/C13H17ClFNO3S/c14-10-4-5-13(12(15)9-10)20(18,19)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17H,1-3,6-8H2
InChIKeyFTEXMQNOBHRGBY-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60956507
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60958145
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 63397673
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
1-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)piperidine
CID 116530001
4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103833725
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
3-fluoro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 79186864
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (CID 60957878) is 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is O=S(=O)(c1ccc(Cl)cc1F)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is FTEXMQNOBHRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c14-10-4-5-13(12(15)9-10)20(18,19)16-7-2-1-3-11(16)6-8-17/h4-5,9,11,17H,1-3,6-8H2.
What are the key properties of 2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 321.80 g/mol, XLogP of 2.40, 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-2-yl]ethanol is sourced from PubChem (CID 60957878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).