1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol

C13H17Cl2NO3S — CID 103834631

IUPAC1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H17Cl2NO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-8-11(14)2-3-12(13)15/h2-3,8-10,17H,4-7H2,1H3
InChIKeyCXIFTCBKJVJWEH-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.77
Rot. Bonds3

About 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol

1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 103834631) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID103834631
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H17Cl2NO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-8-11(14)2-3-12(13)15/h2-3,8-10,17H,4-7H2,1H3
InChIKeyCXIFTCBKJVJWEH-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835212
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7953770
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 55625184

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol (CID 103834631) is 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is CXIFTCBKJVJWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-9(17)10-4-6-16(7-5-10)20(18,19)13-8-11(14)2-3-12(13)15/h2-3,8-10,17H,4-7H2,1H3.
What are the key properties of 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 338.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 103834631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).