3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

C19H20N2O5S — CID 4915707

IUPAC3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1OC
InChIInChI=1S/C19H20N2O5S/c1-24-16-9-8-15(13-18(16)25-2)27(22,23)21-11-12-26-17-7-3-5-14-6-4-10-20-19(14)17/h3-10,13,21H,11-12H2,1-2H3
InChIKeyPULFLZDUARFSKN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.61
Rot. Bonds8

About 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (PubChem CID 4915707) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
PubChem CID4915707
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1OC
InChIInChI=1S/C19H20N2O5S/c1-24-16-9-8-15(13-18(16)25-2)27(22,23)21-11-12-26-17-7-3-5-14-6-4-10-20-19(14)17/h3-10,13,21H,11-12H2,1-2H3
InChIKeyPULFLZDUARFSKN-UHFFFAOYSA-N
XLogP2.61
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Actinoquinol
CID 23674
N-(4-[4-[(6-Butyl-8-quinolinyl)oxy]-1-piperidinyl]butyl)ethanesulfonamide, dihydrochloride salt
CID 25164128
4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
Kryptofix 5
CID 93310
Substituted phenylsulfonyltryptamine, 11l
CID 23655467
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (CID 4915707) is 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The InChIKey is PULFLZDUARFSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-24-16-9-8-15(13-18(16)25-2)27(22,23)21-11-12-26-17-7-3-5-14-6-4-10-20-19(14)17/h3-10,13,21H,11-12H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 4915707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).