4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline

C24H21NO5S2 — CID 68878898

IUPAC4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline
SMILESCCS(=O)(=O)c1ccc(Oc2cccc(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)cc1
InChIInChI=1S/C24H21NO5S2/c1-3-32(28,29)20-12-10-18(11-13-20)30-19-7-4-6-17(16-19)21-14-15-25-24-22(21)8-5-9-23(24)31(2,26)27/h4-16H,3H2,1-2H3
InChIKeyDPOFESCIHVPMMW-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.89
Rot. Bonds6

About 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline

4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline (PubChem CID 68878898) has the molecular formula C24H21NO5S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline.

Molecular Properties

Compound Name4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline
PubChem CID68878898
Molecular FormulaC24H21NO5S2
Molecular Weight467.57 g/mol
Exact Mass467.09
IUPAC Name4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline
SMILESCCS(=O)(=O)c1ccc(Oc2cccc(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)cc1
InChIInChI=1S/C24H21NO5S2/c1-3-32(28,29)20-12-10-18(11-13-20)30-19-7-4-6-17(16-19)21-14-15-25-24-22(21)8-5-9-23(24)31(2,26)27/h4-16H,3H2,1-2H3
InChIKeyDPOFESCIHVPMMW-UHFFFAOYSA-N
XLogP4.89
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25101685
4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-8-carbonitrile;4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline-8-carboxylic acid
CID 159890610
4-[2-fluoro-5-(4-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 68876323
4-[3-(3-ethylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinazoline
CID 25262111
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl] 3-methylsulfonylbenzoate
CID 56597856
3-(4-ethylsulfonylphenoxy)benzoic acid
CID 61395541
methane;4-[3-(3-piperidin-4-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 143659754
4-[3-(3-ethylsulfonylphenoxy)phenyl]-3-methyl-8-(trifluoromethyl)quinoline
CID 25102117
4-[2-methyl-5-(4-propan-2-ylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 68877282
4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 68876326
4-[5-(3-chloro-5-methylsulfonylphenoxy)-2-fluorophenyl]-8-methoxyquinoline
CID 68878270

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline?
The IUPAC name of 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline (CID 68878898) is 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline.
What is the SMILES notation for 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline?
The canonical SMILES for 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline is CCS(=O)(=O)c1ccc(Oc2cccc(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)cc1.
What is the InChIKey of 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline?
The InChIKey is DPOFESCIHVPMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S2/c1-3-32(28,29)20-12-10-18(11-13-20)30-19-7-4-6-17(16-19)21-14-15-25-24-22(21)8-5-9-23(24)31(2,26)27/h4-16H,3H2,1-2H3.
What are the key properties of 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline?
4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline has a molecular weight of 467.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylsulfonylphenoxy)phenyl]-8-methylsulfonylquinoline is sourced from PubChem (CID 68878898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).