2-[(4-ethoxyphenyl)sulfonylamino]acetic acid

C10H13NO5S — CID 757400

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]acetic acid
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyXJIQFMHJWKKCRK-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.45
Rot. Bonds6

About 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid

2-[(4-ethoxyphenyl)sulfonylamino]acetic acid (PubChem CID 757400) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]acetic acid
PubChem CID757400
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]acetic acid
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyXJIQFMHJWKKCRK-UHFFFAOYSA-N
XLogP0.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethoxyphenyl)sulfonylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid (CID 757400) is 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid is CCOc1ccc(S(=O)(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is XJIQFMHJWKKCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-2-16-8-3-5-9(6-4-8)17(14,15)11-7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid?
2-[(4-ethoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 259.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 757400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).