5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol

C17H15NO3S — CID 122442023

IUPAC5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol
SMILESCc1ccc(CS(=O)(=O)c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C17H15NO3S/c1-12-4-6-13(7-5-12)11-22(20,21)16-9-8-15(19)17-14(16)3-2-10-18-17/h2-10,19H,11H2,1H3
InChIKeyZIOMWWMOYKFGTL-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.22
Rot. Bonds3

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

5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol (PubChem CID 122442023) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol
PubChem CID122442023
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol
SMILESCc1ccc(CS(=O)(=O)c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C17H15NO3S/c1-12-4-6-13(7-5-12)11-22(20,21)16-9-8-15(19)17-14(16)3-2-10-18-17/h2-10,19H,11H2,1H3
InChIKeyZIOMWWMOYKFGTL-UHFFFAOYSA-N
XLogP3.22
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol?
The IUPAC name of 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol (CID 122442023) is 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol is Cc1ccc(CS(=O)(=O)c2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol?
The InChIKey is ZIOMWWMOYKFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-4-6-13(7-5-12)11-22(20,21)16-9-8-15(19)17-14(16)3-2-10-18-17/h2-10,19H,11H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol?
5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol has a molecular weight of 313.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylsulfonyl]quinolin-8-ol is sourced from PubChem (CID 122442023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).