2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid

C12H17NO6S — CID 63245735

IUPAC2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
SMILESCCOCCS(=O)(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H17NO6S/c1-2-18-6-7-20(16,17)13-10-4-3-5-11(8-10)19-9-12(14)15/h3-5,8,13H,2,6-7,9H2,1H3,(H,14,15)
InChIKeyIODPZJASMBNMKG-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.93
Rot. Bonds9

About 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid

2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid (PubChem CID 63245735) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
PubChem CID63245735
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
SMILESCCOCCS(=O)(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H17NO6S/c1-2-18-6-7-20(16,17)13-10-4-3-5-11(8-10)19-9-12(14)15/h3-5,8,13H,2,6-7,9H2,1H3,(H,14,15)
InChIKeyIODPZJASMBNMKG-UHFFFAOYSA-N
XLogP0.93
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid 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

2-[3-(2-ethoxyethylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 76988854
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
2-[4-(2-ethoxyethylsulfonylamino)phenoxy]ethanethioamide
CID 63245611
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid (CID 63245735) is 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid is CCOCCS(=O)(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid?
The InChIKey is IODPZJASMBNMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-2-18-6-7-20(16,17)13-10-4-3-5-11(8-10)19-9-12(14)15/h3-5,8,13H,2,6-7,9H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid?
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid has a molecular weight of 303.34 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid is sourced from PubChem (CID 63245735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).