5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol

C16H10F3NO3S — CID 122441904

IUPAC5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)c1ccc(O)c2ncccc12
InChIInChI=1S/C16H10F3NO3S/c17-16(18,19)11-5-1-2-6-14(11)24(22,23)13-8-7-12(21)15-10(13)4-3-9-20-15/h1-9,21H
InChIKeyAJSDWXILBJWIBH-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.79
Rot. Bonds2

About 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol

5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol (PubChem CID 122441904) has the molecular formula C16H10F3NO3S and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
PubChem CID122441904
Molecular FormulaC16H10F3NO3S
Molecular Weight353.32 g/mol
Exact Mass353.03
IUPAC Name5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccccc1C(F)(F)F)c1ccc(O)c2ncccc12
InChIInChI=1S/C16H10F3NO3S/c17-16(18,19)11-5-1-2-6-14(11)24(22,23)13-8-7-12(21)15-10(13)4-3-9-20-15/h1-9,21H
InChIKeyAJSDWXILBJWIBH-UHFFFAOYSA-N
XLogP3.79
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol (CID 122441904) is 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol is O=S(=O)(c1ccccc1C(F)(F)F)c1ccc(O)c2ncccc12.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The InChIKey is AJSDWXILBJWIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3S/c17-16(18,19)11-5-1-2-6-14(11)24(22,23)13-8-7-12(21)15-10(13)4-3-9-20-15/h1-9,21H.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol has a molecular weight of 353.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol is sourced from PubChem (CID 122441904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).