2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide

C18H18N2O3S — CID 76506701

IUPAC2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCOc1cc(C)ccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-12-13(2)9-10-17(16)24(21,22)20-15-8-4-6-14-7-5-11-19-18(14)15/h4-12,20H,3H2,1-2H3
InChIKeyQGIKJAYNOHHHSY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.74
Rot. Bonds5

About 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide

2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 76506701) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID76506701
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCOc1cc(C)ccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-12-13(2)9-10-17(16)24(21,22)20-15-8-4-6-14-7-5-11-19-18(14)15/h4-12,20H,3H2,1-2H3
InChIKeyQGIKJAYNOHHHSY-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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Related Compounds

2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
CID 136574217
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide (CID 76506701) is 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide is CCOc1cc(C)ccc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is QGIKJAYNOHHHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-16-12-13(2)9-10-17(16)24(21,22)20-15-8-4-6-14-7-5-11-19-18(14)15/h4-12,20H,3H2,1-2H3.
What are the key properties of 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide 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 2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 76506701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).