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

C16H9ClF3NO3S — CID 122440027

IUPAC7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C16H9ClF3NO3S/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
InChIKeyFSGJMMNKMYDXTO-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.45
Rot. Bonds2

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

7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol (PubChem CID 122440027) has the molecular formula C16H9ClF3NO3S and a molecular weight of 387.77 g/mol. Its IUPAC name is 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
PubChem CID122440027
Molecular FormulaC16H9ClF3NO3S
Molecular Weight387.77 g/mol
Exact Mass386.99
IUPAC Name7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C16H9ClF3NO3S/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
InChIKeyFSGJMMNKMYDXTO-UHFFFAOYSA-N
XLogP4.45
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol (CID 122440027) is 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol is O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c(O)c2ncccc12.
What is the InChIKey of 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
The InChIKey is FSGJMMNKMYDXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO3S/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-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol?
7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol has a molecular weight of 387.77 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[4-(trifluoromethyl)phenyl]sulfonylquinolin-8-ol is sourced from PubChem (CID 122440027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).