3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide

C17H16N2O4S — CID 35282374

IUPAC3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-22-16-9-8-12(11-17(16)23-2)24(20,21)19-15-7-3-6-14-13(15)5-4-10-18-14/h3-11,19H,1-2H3
InChIKeyKOPHMYUHASBICH-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.05
Rot. Bonds5

About 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide

3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 35282374) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
PubChem CID35282374
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-22-16-9-8-12(11-17(16)23-2)24(20,21)19-15-7-3-6-14-13(15)5-4-10-18-14/h3-11,19H,1-2H3
InChIKeyKOPHMYUHASBICH-UHFFFAOYSA-N
XLogP3.05
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 112773656
3-methoxy-N-quinolin-5-ylthiophene-2-sulfonamide
CID 75435601
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
5-(azepan-1-ylsulfonyl)-2-methoxy-N-quinolin-5-ylbenzamide
CID 55342989
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide (CID 35282374) is 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is KOPHMYUHASBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-16-9-8-12(11-17(16)23-2)24(20,21)19-15-7-3-6-14-13(15)5-4-10-18-14/h3-11,19H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 35282374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).