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

C13H17ClFNO3S — CID 103834656

IUPAC1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H17ClFNO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-3-2-11(14)8-12(13)15/h2-3,8-10,17H,4-7H2,1H3
InChIKeyBPKUYMLCAFSTDR-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.26
Rot. Bonds3

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

1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 103834656) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID103834656
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H17ClFNO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-3-2-11(14)8-12(13)15/h2-3,8-10,17H,4-7H2,1H3
InChIKeyBPKUYMLCAFSTDR-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol (CID 103834656) is 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is BPKUYMLCAFSTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-3-2-11(14)8-12(13)15/h2-3,8-10,17H,4-7H2,1H3.
What are the key properties of 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 321.80 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 103834656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).