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

C17H19NO2S — CID 777204

IUPAC1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C17H19NO2S/c1-13-9-10-16(12-14(13)2)21(19,20)18-11-5-7-15-6-3-4-8-17(15)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyZKNSLVVQAACIFE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.44
Rot. Bonds2

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

1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 777204) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID777204
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C17H19NO2S/c1-13-9-10-16(12-14(13)2)21(19,20)18-11-5-7-15-6-3-4-8-17(15)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyZKNSLVVQAACIFE-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 777204) is 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is ZKNSLVVQAACIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-9-10-16(12-14(13)2)21(19,20)18-11-5-7-15-6-3-4-8-17(15)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 301.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 777204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).