2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide

C19H20N2O4S — CID 113102220

IUPAC2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc2ncccc2c1
InChIInChI=1S/C19H20N2O4S/c1-14-5-8-18(24-2)19(12-14)26(22,23)21-10-11-25-16-6-7-17-15(13-16)4-3-9-20-17/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyVOKJTJCFRXGEEW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.91
Rot. Bonds7

About 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide (PubChem CID 113102220) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
PubChem CID113102220
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc2ncccc2c1
InChIInChI=1S/C19H20N2O4S/c1-14-5-8-18(24-2)19(12-14)26(22,23)21-10-11-25-16-6-7-17-15(13-16)4-3-9-20-17/h3-9,12-13,21H,10-11H2,1-2H3
InChIKeyVOKJTJCFRXGEEW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102226
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
CID 113102175
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide (CID 113102220) is 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCOc1ccc2ncccc2c1.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
The InChIKey is VOKJTJCFRXGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-5-8-18(24-2)19(12-14)26(22,23)21-10-11-25-16-6-7-17-15(13-16)4-3-9-20-17/h3-9,12-13,21H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 113102220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).