2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline

C23H17F2NO3S — CID 91496743

IUPAC2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccc(C)c(F)c3)c(F)nc3ccccc23)cc1
InChIInChI=1S/C23H17F2NO3S/c1-14-7-12-17(13-19(14)24)30(27,28)22-21(15-8-10-16(29-2)11-9-15)18-5-3-4-6-20(18)26-23(22)25/h3-13H,1-2H3
InChIKeyXJLWPSZLPMFCPE-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.33
Rot. Bonds4

About 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline

2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline (PubChem CID 91496743) has the molecular formula C23H17F2NO3S and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
PubChem CID91496743
Molecular FormulaC23H17F2NO3S
Molecular Weight425.46 g/mol
Exact Mass425.09
IUPAC Name2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccc(C)c(F)c3)c(F)nc3ccccc23)cc1
InChIInChI=1S/C23H17F2NO3S/c1-14-7-12-17(13-19(14)24)30(27,28)22-21(15-8-10-16(29-2)11-9-15)18-5-3-4-6-20(18)26-23(22)25/h3-13H,1-2H3
InChIKeyXJLWPSZLPMFCPE-UHFFFAOYSA-N
XLogP5.33
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(Trifluoromethyl)quinoline
CID 25100472
3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 10452212
9-Ethenylsulfonyl-2,7-dimethoxyacridine
CID 395402
N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10006046
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
4-(3-(3-(Isopropylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline
CID 25100922
4-(4''-Methoxy-3''-(methylsulfonyl)biphenyl-3-yl)-3-methyl-8-(trifluoromethyl)quinoline
CID 46887888
1,2,3,4-Tetrahydroacridin-9-yl 4-methoxybenzenesulfonate
CID 23729778
4-[1-(4-Methoxyphenyl)ethenyl]-2-(trifluoromethyl)quinoline
CID 137649085
4-[1-(3-Fluoro-4-methoxyphenyl)ethenyl]-2-methylquinoline
CID 137651480
2-Benzhydrylsulfanyl-7-methoxy-4-phenylquinoline
CID 2411168
4-methoxy-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide
CID 2822022

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
The IUPAC name of 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline (CID 91496743) is 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline.
What is the SMILES notation for 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
The canonical SMILES for 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline is COc1ccc(-c2c(S(=O)(=O)c3ccc(C)c(F)c3)c(F)nc3ccccc23)cc1.
What is the InChIKey of 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
The InChIKey is XJLWPSZLPMFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO3S/c1-14-7-12-17(13-19(14)24)30(27,28)22-21(15-8-10-16(29-2)11-9-15)18-5-3-4-6-20(18)26-23(22)25/h3-13H,1-2H3.
What are the key properties of 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline?
2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline has a molecular weight of 425.46 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-fluoro-4-methylphenyl)sulfonyl-4-(4-methoxyphenyl)quinoline is sourced from PubChem (CID 91496743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).