5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol

C18H17NO3S — CID 122441924

IUPAC5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol
SMILESCc1ccc(CCS(=O)(=O)c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C18H17NO3S/c1-13-4-6-14(7-5-13)10-12-23(21,22)17-9-8-16(20)18-15(17)3-2-11-19-18/h2-9,11,20H,10,12H2,1H3
InChIKeyUUDYQHUODWGOAB-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.27
Rot. Bonds4

About 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol

5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol (PubChem CID 122441924) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol
PubChem CID122441924
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol
SMILESCc1ccc(CCS(=O)(=O)c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C18H17NO3S/c1-13-4-6-14(7-5-13)10-12-23(21,22)17-9-8-16(20)18-15(17)3-2-11-19-18/h2-9,11,20H,10,12H2,1H3
InChIKeyUUDYQHUODWGOAB-UHFFFAOYSA-N
XLogP3.27
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol?
The IUPAC name of 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol (CID 122441924) is 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol.
What is the SMILES notation for 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol?
The canonical SMILES for 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol is Cc1ccc(CCS(=O)(=O)c2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol?
The InChIKey is UUDYQHUODWGOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-13-4-6-14(7-5-13)10-12-23(21,22)17-9-8-16(20)18-15(17)3-2-11-19-18/h2-9,11,20H,10,12H2,1H3.
What are the key properties of 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol?
5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol has a molecular weight of 327.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)ethylsulfonyl]quinolin-8-ol is sourced from PubChem (CID 122441924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).