2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid

C10H11FN2O6S — CID 60748669

IUPAC2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NOCC(=O)O)c(F)c1
InChIInChI=1S/C10H11FN2O6S/c1-6(14)12-7-2-3-9(8(11)4-7)20(17,18)13-19-5-10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyASVCDGKLNWBGRC-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.08
Rot. Bonds6

About 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid

2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid (PubChem CID 60748669) has the molecular formula C10H11FN2O6S and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
PubChem CID60748669
Molecular FormulaC10H11FN2O6S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NOCC(=O)O)c(F)c1
InChIInChI=1S/C10H11FN2O6S/c1-6(14)12-7-2-3-9(8(11)4-7)20(17,18)13-19-5-10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyASVCDGKLNWBGRC-UHFFFAOYSA-N
XLogP0.08
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984
2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
CID 61062135
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
CID 60956568
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
CID 154742047
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
CID 70210987
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid (CID 60748669) is 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid is CC(=O)Nc1ccc(S(=O)(=O)NOCC(=O)O)c(F)c1.
What is the InChIKey of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid?
The InChIKey is ASVCDGKLNWBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O6S/c1-6(14)12-7-2-3-9(8(11)4-7)20(17,18)13-19-5-10(15)16/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid?
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid has a molecular weight of 306.27 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60748669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).