2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid

C10H11NO6S — CID 60661455

IUPAC2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NOCC(=O)O)cc1
InChIInChI=1S/C10H11NO6S/c1-7(12)8-2-4-9(5-3-8)18(15,16)11-17-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyIYKQGVGLRHSIQB-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.18
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid

2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid (PubChem CID 60661455) has the molecular formula C10H11NO6S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
PubChem CID60661455
Molecular FormulaC10H11NO6S
Molecular Weight273.27 g/mol
Exact Mass273.03
IUPAC Name2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NOCC(=O)O)cc1
InChIInChI=1S/C10H11NO6S/c1-7(12)8-2-4-9(5-3-8)18(15,16)11-17-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyIYKQGVGLRHSIQB-UHFFFAOYSA-N
XLogP0.18
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
CID 60661371
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid (CID 60661455) is 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid is CC(=O)c1ccc(S(=O)(=O)NOCC(=O)O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid?
The InChIKey is IYKQGVGLRHSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6S/c1-7(12)8-2-4-9(5-3-8)18(15,16)11-17-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid?
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid has a molecular weight of 273.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).