8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline

C22H15F2NO3S — CID 25169332

IUPAC8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2c(S(=O)(=O)c3cccc(F)c3)cnc3c(F)cccc23)cc1
InChIInChI=1S/C22H15F2NO3S/c1-28-16-10-8-14(9-11-16)21-18-6-3-7-19(24)22(18)25-13-20(21)29(26,27)17-5-2-4-15(23)12-17/h2-13H,1H3
InChIKeyQPNUSCKEMAGBLE-UHFFFAOYSA-N
MW411.43 g/mol
LogP5.02
Rot. Bonds4

About 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline

8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline (PubChem CID 25169332) has the molecular formula C22H15F2NO3S and a molecular weight of 411.43 g/mol. Its IUPAC name is 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
PubChem CID25169332
Molecular FormulaC22H15F2NO3S
Molecular Weight411.43 g/mol
Exact Mass411.07
IUPAC Name8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2c(S(=O)(=O)c3cccc(F)c3)cnc3c(F)cccc23)cc1
InChIInChI=1S/C22H15F2NO3S/c1-28-16-10-8-14(9-11-16)21-18-6-3-7-19(24)22(18)25-13-20(21)29(26,27)17-5-2-4-15(23)12-17/h2-13H,1H3
InChIKeyQPNUSCKEMAGBLE-UHFFFAOYSA-N
XLogP5.02
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
CID 25169197
3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
CID 25168387
4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
CID 56923463
3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
CID 25167451
2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
CID 91595214
2-(4-chlorophenyl)-6-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
CID 90727189
4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
CID 56923459
7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
CID 91316778
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
2-chloro-4-(4-fluorophenyl)-3-(3-fluorophenyl)sulfonylquinoline
CID 90789688
3-(3-fluorophenyl)sulfonylquinolin-8-amine
CID 67314085
2-[(3-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2445848

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
The IUPAC name of 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline (CID 25169332) is 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline.
What is the SMILES notation for 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
The canonical SMILES for 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline is COc1ccc(-c2c(S(=O)(=O)c3cccc(F)c3)cnc3c(F)cccc23)cc1.
What is the InChIKey of 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
The InChIKey is QPNUSCKEMAGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO3S/c1-28-16-10-8-14(9-11-16)21-18-6-3-7-19(24)22(18)25-13-20(21)29(26,27)17-5-2-4-15(23)12-17/h2-13H,1H3.
What are the key properties of 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline has a molecular weight of 411.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline is sourced from PubChem (CID 25169332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).