5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol

C16H12FNO3S — CID 122441991

IUPAC5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1cc(F)ccc1S(=O)(=O)c1ccc(O)c2ncccc12
InChIInChI=1S/C16H12FNO3S/c1-10-9-11(17)4-6-14(10)22(20,21)15-7-5-13(19)16-12(15)3-2-8-18-16/h2-9,19H,1H3
InChIKeyBATFUFNHZGFLAH-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.22
Rot. Bonds2

About 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol

5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol (PubChem CID 122441991) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol
PubChem CID122441991
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1cc(F)ccc1S(=O)(=O)c1ccc(O)c2ncccc12
InChIInChI=1S/C16H12FNO3S/c1-10-9-11(17)4-6-14(10)22(20,21)15-7-5-13(19)16-12(15)3-2-8-18-16/h2-9,19H,1H3
InChIKeyBATFUFNHZGFLAH-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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Related Compounds

Ferron
CID 11043
8-Hydroxyquinoline-5-sulfonic acid
CID 6792
8-Hydroxy-5-quinolinesulfonic acid monohydrate
CID 2723649
5-Quinolinesulfonic acid, 8-hydroxy-7-(2-(1-naphthalenyl)diazenyl)-
CID 98565
7-Fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
CID 122441965
7-Fluoro-5-cyclopentylsulfonyl-quinolin-8-ol
CID 122439995
7-Fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
7-Chloro-5-cyclopentylsulfonyl-quinolin-8-ol
CID 122440029
7-Fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
CID 122442029
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
Chiniofon
CID 23673836
5-Tosylquinolin-8-ol
CID 71395955

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol (CID 122441991) is 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol is Cc1cc(F)ccc1S(=O)(=O)c1ccc(O)c2ncccc12.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol?
The InChIKey is BATFUFNHZGFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-10-9-11(17)4-6-14(10)22(20,21)15-7-5-13(19)16-12(15)3-2-8-18-16/h2-9,19H,1H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol?
5-(4-fluoro-2-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 5-(4-fluoro-2-methylphenyl)sulfonylquinolin-8-ol is sourced from PubChem (CID 122441991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).