2-pentylsulfonylquinoline

C14H17NO2S — CID 174165146

IUPAC2-pentylsulfonylquinoline
SMILESCCCCCS(=O)(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H17NO2S/c1-2-3-6-11-18(16,17)14-10-9-12-7-4-5-8-13(12)15-14/h4-5,7-10H,2-3,6,11H2,1H3
InChIKeyAESNZCOSIJQTFZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.20
Rot. Bonds5

About 2-pentylsulfonylquinoline

2-pentylsulfonylquinoline (PubChem CID 174165146) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-pentylsulfonylquinoline.

Molecular Properties

Compound Name2-pentylsulfonylquinoline
PubChem CID174165146
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-pentylsulfonylquinoline
SMILESCCCCCS(=O)(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H17NO2S/c1-2-3-6-11-18(16,17)14-10-9-12-7-4-5-8-13(12)15-14/h4-5,7-10H,2-3,6,11H2,1H3
InChIKeyAESNZCOSIJQTFZ-UHFFFAOYSA-N
XLogP3.20
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfonylquinoline?
The IUPAC name of 2-pentylsulfonylquinoline (CID 174165146) is 2-pentylsulfonylquinoline.
What is the SMILES notation for 2-pentylsulfonylquinoline?
The canonical SMILES for 2-pentylsulfonylquinoline is CCCCCS(=O)(=O)c1ccc2ccccc2n1.
What is the InChIKey of 2-pentylsulfonylquinoline?
The InChIKey is AESNZCOSIJQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-3-6-11-18(16,17)14-10-9-12-7-4-5-8-13(12)15-14/h4-5,7-10H,2-3,6,11H2,1H3.
What are the key properties of 2-pentylsulfonylquinoline?
2-pentylsulfonylquinoline has a molecular weight of 263.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfonylquinoline is sourced from PubChem (CID 174165146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).