7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol

C16H9F4NO3S — CID 122440030

IUPAC7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c2ncccc12
InChIInChI=1S/C16H9F4NO3S/c17-12-8-13(11-2-1-7-21-14(11)15(12)22)25(23,24)10-5-3-9(4-6-10)16(18,19)20/h1-8,22H
InChIKeyTZTVOCRNTLVDNF-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.93
Rot. Bonds2

About 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol

7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol (PubChem CID 122440030) has the molecular formula C16H9F4NO3S and a molecular weight of 371.31 g/mol. Its IUPAC name is 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
PubChem CID122440030
Molecular FormulaC16H9F4NO3S
Molecular Weight371.31 g/mol
Exact Mass371.02
IUPAC Name7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c2ncccc12
InChIInChI=1S/C16H9F4NO3S/c17-12-8-13(11-2-1-7-21-14(11)15(12)22)25(23,24)10-5-3-9(4-6-10)16(18,19)20/h1-8,22H
InChIKeyTZTVOCRNTLVDNF-UHFFFAOYSA-N
XLogP3.93
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-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 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The IUPAC name of 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol (CID 122440030) is 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol.
What is the SMILES notation for 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The canonical SMILES for 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol is O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c2ncccc12.
What is the InChIKey of 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The InChIKey is TZTVOCRNTLVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO3S/c17-12-8-13(11-2-1-7-21-14(11)15(12)22)25(23,24)10-5-3-9(4-6-10)16(18,19)20/h1-8,22H.
What are the key properties of 7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
7-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol has a molecular weight of 371.31 g/mol, XLogP of 3.93, 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-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol is sourced from PubChem (CID 122440030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).