3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide

C17H22N2O4S — CID 70509811

IUPAC3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNCCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H22N2O4S/c1-22-15-5-7-16(8-6-15)23-12-11-19-10-9-14-3-2-4-17(13-14)24(18,20)21/h2-8,13,19H,9-12H2,1H3,(H2,18,20,21)
InChIKeyRLOZVADURCGDRS-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.55
Rot. Bonds9

About 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide

3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide (PubChem CID 70509811) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide
PubChem CID70509811
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide
SMILESCOc1ccc(OCCNCCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H22N2O4S/c1-22-15-5-7-16(8-6-15)23-12-11-19-10-9-14-3-2-4-17(13-14)24(18,20)21/h2-8,13,19H,9-12H2,1H3,(H2,18,20,21)
InChIKeyRLOZVADURCGDRS-UHFFFAOYSA-N
XLogP1.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111169563
2-[3-[2-[3-(4-methoxyphenoxy)propylamino]ethyl]phenoxy]butanoic acid
CID 70806499
N-[2-(4-bromophenoxy)ethyl]-2-(3-methylphenyl)ethanamine
CID 63492781
3-methoxybenzenesulfonamide
CID 14763060
2-methyl-1-(2-phenoxyethyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111005033
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059365
N-[2-(4-methoxyphenyl)sulfonylethyl]-2-phenylethanamine
CID 3050838
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methyl]ethanamine
CID 51244377
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 8569114

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide (CID 70509811) is 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide is COc1ccc(OCCNCCc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is RLOZVADURCGDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-22-15-5-7-16(8-6-15)23-12-11-19-10-9-14-3-2-4-17(13-14)24(18,20)21/h2-8,13,19H,9-12H2,1H3,(H2,18,20,21).
What are the key properties of 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide?
3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-methoxyphenoxy)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 70509811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).