1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C19H23NO2S — CID 19683287

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C19H23NO2S/c1-13-12-14(2)16(4)19(15(13)3)23(21,22)20-11-7-9-17-8-5-6-10-18(17)20/h5-6,8,10,12H,7,9,11H2,1-4H3
InChIKeyMWNHYHMRJZHKFP-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.06
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 19683287) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID19683287
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C19H23NO2S/c1-13-12-14(2)16(4)19(15(13)3)23(21,22)20-11-7-9-17-8-5-6-10-18(17)20/h5-6,8,10,12H,7,9,11H2,1-4H3
InChIKeyMWNHYHMRJZHKFP-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 19683287) is 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1cc(C)c(C)c(S(=O)(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is MWNHYHMRJZHKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-13-12-14(2)16(4)19(15(13)3)23(21,22)20-11-7-9-17-8-5-6-10-18(17)20/h5-6,8,10,12H,7,9,11H2,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 329.47 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 19683287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).