8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide

C18H18N2O3S — CID 4160427

IUPAC8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)c2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-9-10-17(15-8-5-11-19-18(15)16)24(21,22)20-14-7-4-6-13(2)12-14/h4-12,20H,3H2,1-2H3
InChIKeyBQROOMMOZVLFNL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.74
Rot. Bonds5

About 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide

8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide (PubChem CID 4160427) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide
PubChem CID4160427
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)c2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-9-10-17(15-8-5-11-19-18(15)16)24(21,22)20-14-7-4-6-13(2)12-14/h4-12,20H,3H2,1-2H3
InChIKeyBQROOMMOZVLFNL-UHFFFAOYSA-N
XLogP3.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide?
The IUPAC name of 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide (CID 4160427) is 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)c2cccnc12.
What is the InChIKey of 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide?
The InChIKey is BQROOMMOZVLFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-16-9-10-17(15-8-5-11-19-18(15)16)24(21,22)20-14-7-4-6-13(2)12-14/h4-12,20H,3H2,1-2H3.
What are the key properties of 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide?
8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-(3-methylphenyl)quinoline-5-sulfonamide is sourced from PubChem (CID 4160427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).