2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline

C20H23NO2S — CID 687221

IUPAC2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline
SMILESCC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21
InChIInChI=1S/C20H23NO2S/c1-14-6-9-17(10-7-14)24(22,23)21-19-12-15(2)8-11-18(19)16(3)13-20(21,4)5/h6-13H,1-5H3
InChIKeyAVEDXUCTNRSAQE-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.69
Rot. Bonds2

About 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline

2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline (PubChem CID 687221) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline.

Molecular Properties

Compound Name2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline
PubChem CID687221
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline
SMILESCC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21
InChIInChI=1S/C20H23NO2S/c1-14-6-9-17(10-7-14)24(22,23)21-19-12-15(2)8-11-18(19)16(3)13-20(21,4)5/h6-13H,1-5H3
InChIKeyAVEDXUCTNRSAQE-UHFFFAOYSA-N
XLogP4.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline?
The IUPAC name of 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline (CID 687221) is 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline.
What is the SMILES notation for 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline?
The canonical SMILES for 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline is CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21.
What is the InChIKey of 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline?
The InChIKey is AVEDXUCTNRSAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-14-6-9-17(10-7-14)24(22,23)21-19-12-15(2)8-11-18(19)16(3)13-20(21,4)5/h6-13H,1-5H3.
What are the key properties of 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline?
2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline has a molecular weight of 341.48 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7-tetramethyl-1-(4-methylphenyl)sulfonylquinoline is sourced from PubChem (CID 687221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).