1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C18H21NO2S — CID 669093

IUPAC1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-13-11-14(2)18(15(3)12-13)22(20,21)19-10-6-8-16-7-4-5-9-17(16)19/h4-5,7,9,11-12H,6,8,10H2,1-3H3
InChIKeyYDUJUUVGZIPXJO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.75
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 669093) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID669093
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO2S/c1-13-11-14(2)18(15(3)12-13)22(20,21)19-10-6-8-16-7-4-5-9-17(16)19/h4-5,7,9,11-12H,6,8,10H2,1-3H3
InChIKeyYDUJUUVGZIPXJO-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 669093) is 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is YDUJUUVGZIPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-11-14(2)18(15(3)12-13)22(20,21)19-10-6-8-16-7-4-5-9-17(16)19/h4-5,7,9,11-12H,6,8,10H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 315.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 669093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).