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

C14H20ClNO3S — CID 103834565

IUPAC1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-10-3-4-14(13(15)9-10)20(18,19)16-7-5-12(6-8-16)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyGLFAYLDKCXNOCO-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.43
Rot. Bonds3

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

1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol (PubChem CID 103834565) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
PubChem CID103834565
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO3S/c1-10-3-4-14(13(15)9-10)20(18,19)16-7-5-12(6-8-16)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3
InChIKeyGLFAYLDKCXNOCO-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
N-[[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 80546648
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 32680976
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835212

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol (CID 103834565) is 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCC(C(C)O)CC2)c(Cl)c1.
What is the InChIKey of 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
The InChIKey is GLFAYLDKCXNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-3-4-14(13(15)9-10)20(18,19)16-7-5-12(6-8-16)11(2)17/h3-4,9,11-12,17H,5-8H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol?
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol has a molecular weight of 317.84 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol is sourced from PubChem (CID 103834565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).