8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide

C21H24N2O4S — CID 3684734

IUPAC8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
SMILESCCOc1ccccc1CCNS(=O)(=O)c1ccc(OCC)c2ncccc12
InChIInChI=1S/C21H24N2O4S/c1-3-26-18-10-6-5-8-16(18)13-15-23-28(24,25)20-12-11-19(27-4-2)21-17(20)9-7-14-22-21/h5-12,14,23H,3-4,13,15H2,1-2H3
InChIKeyDNCJVFWTCQISCF-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.55
Rot. Bonds9

About 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide

8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide (PubChem CID 3684734) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
PubChem CID3684734
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
SMILESCCOc1ccccc1CCNS(=O)(=O)c1ccc(OCC)c2ncccc12
InChIInChI=1S/C21H24N2O4S/c1-3-26-18-10-6-5-8-16(18)13-15-23-28(24,25)20-12-11-19(27-4-2)21-17(20)9-7-14-22-21/h5-12,14,23H,3-4,13,15H2,1-2H3
InChIKeyDNCJVFWTCQISCF-UHFFFAOYSA-N
XLogP3.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
CID 126478575
N-heptyl-8-methoxyquinoline-5-sulfonamide
CID 594128
5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615074
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 3764247
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
2-[(8-ethoxyquinolin-5-yl)sulfonylamino]benzamide
CID 25035028
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
N-[diethoxyphosphoryl(phenyl)methyl]-8-ethoxyquinoline-5-sulfonamide
CID 3857191
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
CID 5186150

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide?
The IUPAC name of 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide (CID 3684734) is 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide is CCOc1ccccc1CCNS(=O)(=O)c1ccc(OCC)c2ncccc12.
What is the InChIKey of 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide?
The InChIKey is DNCJVFWTCQISCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-3-26-18-10-6-5-8-16(18)13-15-23-28(24,25)20-12-11-19(27-4-2)21-17(20)9-7-14-22-21/h5-12,14,23H,3-4,13,15H2,1-2H3.
What are the key properties of 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide?
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide is sourced from PubChem (CID 3684734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).