3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline

C22H14F3NO3S — CID 25167717

IUPAC3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2c(S(=O)(=O)c3cc(F)cc(F)c3)cnc3cc(F)ccc23)c1
InChIInChI=1S/C22H14F3NO3S/c1-29-17-4-2-3-13(7-17)22-19-6-5-14(23)11-20(19)26-12-21(22)30(27,28)18-9-15(24)8-16(25)10-18/h2-12H,1H3
InChIKeyIJSNUNHOXBEUSN-UHFFFAOYSA-N
MW429.42 g/mol
LogP5.16
Rot. Bonds4

About 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline

3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline (PubChem CID 25167717) has the molecular formula C22H14F3NO3S and a molecular weight of 429.42 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline
PubChem CID25167717
Molecular FormulaC22H14F3NO3S
Molecular Weight429.42 g/mol
Exact Mass429.06
IUPAC Name3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2c(S(=O)(=O)c3cc(F)cc(F)c3)cnc3cc(F)ccc23)c1
InChIInChI=1S/C22H14F3NO3S/c1-29-17-4-2-3-13(7-17)22-19-6-5-14(23)11-20(19)26-12-21(22)30(27,28)18-9-15(24)8-16(25)10-18/h2-12H,1H3
InChIKeyIJSNUNHOXBEUSN-UHFFFAOYSA-N
XLogP5.16
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(Trifluoromethyl)quinoline
CID 25100472
3-Methyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25100150
3-Benzyl-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25100311
6-Methoxy-N-(3-sulfopropyl)quinolinium
CID 123936
8-(3-(Difluoromethoxy)phenyl)-6-((4-(methylsulfonyl)phenoxy)methyl)quinoline
CID 46933994
3-Methyl-4-(3-(2-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25099837
4-(3-(3-(Isobutylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 25099838
4-(3-(3-(Isopentylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 25099839
4-(3-(3-(Methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carbonitrile
CID 25099842
3-(3-(3-(3-Methyl-8-(trifluoromethyl)quinolin-4-yl)phenoxy)phenylsulfonyl)propan-1-ol
CID 25099990
4-(3-(3-(3-Methoxypropylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 25099991

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline?
The IUPAC name of 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline (CID 25167717) is 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline.
What is the SMILES notation for 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline?
The canonical SMILES for 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline is COc1cccc(-c2c(S(=O)(=O)c3cc(F)cc(F)c3)cnc3cc(F)ccc23)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline?
The InChIKey is IJSNUNHOXBEUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO3S/c1-29-17-4-2-3-13(7-17)22-19-6-5-14(23)11-20(19)26-12-21(22)30(27,28)18-9-15(24)8-16(25)10-18/h2-12H,1H3.
What are the key properties of 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline?
3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline has a molecular weight of 429.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)sulfonyl-7-fluoro-4-(3-methoxyphenyl)quinoline is sourced from PubChem (CID 25167717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).