2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide

C19H20N2O4S — CID 18152497

IUPAC2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2cccc3cccnc23)c1
InChIInChI=1S/C19H20N2O4S/c1-24-16-8-9-17(25-2)18(13-16)26(22,23)21-12-10-15-6-3-5-14-7-4-11-20-19(14)15/h3-9,11,13,21H,10,12H2,1-2H3
InChIKeyABTLZNDTOUMFNB-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.77
Rot. Bonds7

About 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide

2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide (PubChem CID 18152497) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
PubChem CID18152497
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2cccc3cccnc23)c1
InChIInChI=1S/C19H20N2O4S/c1-24-16-8-9-17(25-2)18(13-16)26(22,23)21-12-10-15-6-3-5-14-7-4-11-20-19(14)15/h3-9,11,13,21H,10,12H2,1-2H3
InChIKeyABTLZNDTOUMFNB-UHFFFAOYSA-N
XLogP2.77
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615074
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
CID 46571780
2,3-dichloro-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615086
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 46443053
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 110718832
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide (CID 18152497) is 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCc2cccc3cccnc23)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
The InChIKey is ABTLZNDTOUMFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-24-16-8-9-17(25-2)18(13-16)26(22,23)21-12-10-15-6-3-5-14-7-4-11-20-19(14)15/h3-9,11,13,21H,10,12H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide is sourced from PubChem (CID 18152497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).