N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide

C20H22N2O4S — CID 22206219

IUPACN-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccc3cccnc23)cc1OCC
InChIInChI=1S/C20H22N2O4S/c1-3-25-17-11-10-15(13-18(17)26-4-2)14-22-27(23,24)19-9-5-7-16-8-6-12-21-20(16)19/h5-13,22H,3-4,14H2,1-2H3
InChIKeyFPEFCRNGFQTIPI-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.51
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide

N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide (PubChem CID 22206219) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
PubChem CID22206219
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccc3cccnc23)cc1OCC
InChIInChI=1S/C20H22N2O4S/c1-3-25-17-11-10-15(13-18(17)26-4-2)14-22-27(23,24)19-9-5-7-16-8-6-12-21-20(16)19/h5-13,22H,3-4,14H2,1-2H3
InChIKeyFPEFCRNGFQTIPI-UHFFFAOYSA-N
XLogP3.51
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206214
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-butylquinoline-8-sulfonamide
CID 2068304
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide (CID 22206219) is N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2cccc3cccnc23)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide?
The InChIKey is FPEFCRNGFQTIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-25-17-11-10-15(13-18(17)26-4-2)14-22-27(23,24)19-9-5-7-16-8-6-12-21-20(16)19/h5-13,22H,3-4,14H2,1-2H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide?
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 22206219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).