2-[(4-fluorophenyl)sulfonylamino]oxyacetate

C8H7FNO5S- — CID 2529382

IUPAC2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESO=C([O-])CONS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1
InChIKeyJYCJJJKCRVCGKY-UHFFFAOYSA-M
MW248.21 g/mol
LogP-1.21
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

2-[(4-fluorophenyl)sulfonylamino]oxyacetate (PubChem CID 2529382) has the molecular formula C8H7FNO5S- and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]oxyacetate
PubChem CID2529382
Molecular FormulaC8H7FNO5S-
Molecular Weight248.21 g/mol
Exact Mass248.00
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESO=C([O-])CONS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1
InChIKeyJYCJJJKCRVCGKY-UHFFFAOYSA-M
XLogP-1.21
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9038487
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9034202
4-fluoro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethoxy]benzenesulfonamide
CID 9033263
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883785
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883765
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883744
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883762
4-fluoro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide
CID 9226477
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9367877

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (CID 2529382) is 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is O=C([O-])CONS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The InChIKey is JYCJJJKCRVCGKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8FNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
2-[(4-fluorophenyl)sulfonylamino]oxyacetate has a molecular weight of 248.21 g/mol, XLogP of -1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is sourced from PubChem (CID 2529382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).