2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline

C23H18FNO4S — CID 91041563

IUPAC2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccc(OC)cc3)c(F)nc3ccccc23)cc1
InChIInChI=1S/C23H18FNO4S/c1-28-16-9-7-15(8-10-16)21-19-5-3-4-6-20(19)25-23(24)22(21)30(26,27)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3
InChIKeyVLEMTGPCEMZQFE-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.89
Rot. Bonds5

About 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline

2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline (PubChem CID 91041563) has the molecular formula C23H18FNO4S and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline
PubChem CID91041563
Molecular FormulaC23H18FNO4S
Molecular Weight423.47 g/mol
Exact Mass423.09
IUPAC Name2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccc(OC)cc3)c(F)nc3ccccc23)cc1
InChIInChI=1S/C23H18FNO4S/c1-28-16-9-7-15(8-10-16)21-19-5-3-4-6-20(19)25-23(24)22(21)30(26,27)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3
InChIKeyVLEMTGPCEMZQFE-UHFFFAOYSA-N
XLogP4.89
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-Ethenylsulfonyl-2,7-dimethoxyacridine
CID 395402
N-hydroxy-N-[1-(4-hydroxyiminocyclohexylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]formamide
CID 9806806
N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10006046
N-Hydroxy-N-{1-(4-methylene-cyclohexyl)-2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonyl]-ethyl}-formamide
CID 10141443
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propan-1-amine
CID 10415449
2-methyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10478440
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
N-Hydroxy-N-[2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonyl]-1-(tetrahydro-pyran-4-ylidenemethyl)-ethyl]-formamide
CID 23017979
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
N-hydroxy-N-[1-(4-hydroxyiminocyclohexyl)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylethyl]formamide
CID 44330140
N-hydroxy-N-[1-(4-hydroxyiminocyclohexyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]formamide
CID 44330162

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline?
The IUPAC name of 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline (CID 91041563) is 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline.
What is the SMILES notation for 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline?
The canonical SMILES for 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline is COc1ccc(-c2c(S(=O)(=O)c3ccc(OC)cc3)c(F)nc3ccccc23)cc1.
What is the InChIKey of 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline?
The InChIKey is VLEMTGPCEMZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4S/c1-28-16-9-7-15(8-10-16)21-19-5-3-4-6-20(19)25-23(24)22(21)30(26,27)18-13-11-17(29-2)12-14-18/h3-14H,1-2H3.
What are the key properties of 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline?
2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline has a molecular weight of 423.47 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoline is sourced from PubChem (CID 91041563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).