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

C16H12FNO3S — CID 122441965

IUPAC7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1ccc(S(=O)(=O)c2cc(F)c(O)c3ncccc23)cc1
InChIInChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3
InChIKeyVRULDRRQTAPONR-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.22
Rot. Bonds2

About 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol

7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol (PubChem CID 122441965) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol
PubChem CID122441965
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1ccc(S(=O)(=O)c2cc(F)c(O)c3ncccc23)cc1
InChIInChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3
InChIKeyVRULDRRQTAPONR-UHFFFAOYSA-N
XLogP3.22
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
The IUPAC name of 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol (CID 122441965) is 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol.
What is the SMILES notation for 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
The canonical SMILES for 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol is Cc1ccc(S(=O)(=O)c2cc(F)c(O)c3ncccc23)cc1.
What is the InChIKey of 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
The InChIKey is VRULDRRQTAPONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3.
What are the key properties of 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol has a molecular weight of 317.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(4-methylphenyl)sulfonylquinolin-8-ol is sourced from PubChem (CID 122441965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).