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

C16H17NO2S — CID 2078021

IUPAC1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C16H17NO2S/c1-13-6-4-9-15(12-13)20(18,19)17-11-5-8-14-7-2-3-10-16(14)17/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyNRRMJTJKHPTFKN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.14
Rot. Bonds2

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

1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2078021) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2078021
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C16H17NO2S/c1-13-6-4-9-15(12-13)20(18,19)17-11-5-8-14-7-2-3-10-16(14)17/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyNRRMJTJKHPTFKN-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 2078021) is 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is NRRMJTJKHPTFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-13-6-4-9-15(12-13)20(18,19)17-11-5-8-14-7-2-3-10-16(14)17/h2-4,6-7,9-10,12H,5,8,11H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 287.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2078021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).