4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide

C13H22N2O4S — CID 106053962

IUPAC4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C13H22N2O4S/c1-18-10-3-2-9-15-20(16,17)13-6-4-12(5-7-13)19-11-8-14/h4-7,15H,2-3,8-11,14H2,1H3
InChIKeyWVOJWTMFNGKJTL-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.73
Rot. Bonds10

About 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide

4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide (PubChem CID 106053962) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
PubChem CID106053962
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
SMILESCOCCCCNS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C13H22N2O4S/c1-18-10-3-2-9-15-20(16,17)13-6-4-12(5-7-13)19-11-8-14/h4-7,15H,2-3,8-11,14H2,1H3
InChIKeyWVOJWTMFNGKJTL-UHFFFAOYSA-N
XLogP0.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethoxy)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066211
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
N-(3-aminopropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119962062
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide (CID 106053962) is 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide is COCCCCNS(=O)(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide?
The InChIKey is WVOJWTMFNGKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-18-10-3-2-9-15-20(16,17)13-6-4-12(5-7-13)19-11-8-14/h4-7,15H,2-3,8-11,14H2,1H3.
What are the key properties of 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide?
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide is sourced from PubChem (CID 106053962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).