2-(4-methoxyphenyl)sulfonyl-4-methylquinoline

C17H15NO3S — CID 71371296

IUPAC2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
SMILESCOc1ccc(S(=O)(=O)c2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C17H15NO3S/c1-12-11-17(18-16-6-4-3-5-15(12)16)22(19,20)14-9-7-13(21-2)8-10-14/h3-11H,1-2H3
InChIKeyXGNIFKAJSGNAPC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline

2-(4-methoxyphenyl)sulfonyl-4-methylquinoline (PubChem CID 71371296) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
PubChem CID71371296
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
SMILESCOc1ccc(S(=O)(=O)c2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C17H15NO3S/c1-12-11-17(18-16-6-4-3-5-15(12)16)22(19,20)14-9-7-13(21-2)8-10-14/h3-11H,1-2H3
InChIKeyXGNIFKAJSGNAPC-UHFFFAOYSA-N
XLogP3.38
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylquinoline-2-sulfonic acid
CID 119081997
4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline
CID 58133199
ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
CID 125424625
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424689
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
5-(benzenesulfonyl)-2-[4-(benzenesulfonyl)phenoxy]-1,3-dimethylbenzene
CID 139724883
(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939
2-[2-(benzenesulfonyl)-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551606

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline (CID 71371296) is 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline is COc1ccc(S(=O)(=O)c2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline?
The InChIKey is XGNIFKAJSGNAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-11-17(18-16-6-4-3-5-15(12)16)22(19,20)14-9-7-13(21-2)8-10-14/h3-11H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline?
2-(4-methoxyphenyl)sulfonyl-4-methylquinoline has a molecular weight of 313.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-4-methylquinoline is sourced from PubChem (CID 71371296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).