5-(4-methylphenyl)sulfonylquinolin-8-ol

C16H13NO3S — CID 71395955

IUPAC5-(4-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C16H13NO3S/c1-11-4-6-12(7-5-11)21(19,20)15-9-8-14(18)16-13(15)3-2-10-17-16/h2-10,18H,1H3
InChIKeyZCPYGPOWCHKHAR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.08
Rot. Bonds2

About 5-(4-methylphenyl)sulfonylquinolin-8-ol

5-(4-methylphenyl)sulfonylquinolin-8-ol (PubChem CID 71395955) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonylquinolin-8-ol.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonylquinolin-8-ol
PubChem CID71395955
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name5-(4-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C16H13NO3S/c1-11-4-6-12(7-5-11)21(19,20)15-9-8-14(18)16-13(15)3-2-10-17-16/h2-10,18H,1H3
InChIKeyZCPYGPOWCHKHAR-UHFFFAOYSA-N
XLogP3.08
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonylquinolin-8-ol?
The IUPAC name of 5-(4-methylphenyl)sulfonylquinolin-8-ol (CID 71395955) is 5-(4-methylphenyl)sulfonylquinolin-8-ol.
What is the SMILES notation for 5-(4-methylphenyl)sulfonylquinolin-8-ol?
The canonical SMILES for 5-(4-methylphenyl)sulfonylquinolin-8-ol is Cc1ccc(S(=O)(=O)c2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonylquinolin-8-ol?
The InChIKey is ZCPYGPOWCHKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-11-4-6-12(7-5-11)21(19,20)15-9-8-14(18)16-13(15)3-2-10-17-16/h2-10,18H,1H3.
What are the key properties of 5-(4-methylphenyl)sulfonylquinolin-8-ol?
5-(4-methylphenyl)sulfonylquinolin-8-ol has a molecular weight of 299.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonylquinolin-8-ol is sourced from PubChem (CID 71395955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).