2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide

C9H11FN2O4S — CID 112673521

IUPAC2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
SMILESCc1ccc(S(=O)(=O)NOCC(N)=O)cc1F
InChIInChI=1S/C9H11FN2O4S/c1-6-2-3-7(4-8(6)10)17(14,15)12-16-5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyKUOKFEWGIVVVQY-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.17
Rot. Bonds5

About 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide

2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide (PubChem CID 112673521) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
PubChem CID112673521
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide
SMILESCc1ccc(S(=O)(=O)NOCC(N)=O)cc1F
InChIInChI=1S/C9H11FN2O4S/c1-6-2-3-7(4-8(6)10)17(14,15)12-16-5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13)
InChIKeyKUOKFEWGIVVVQY-UHFFFAOYSA-N
XLogP-0.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
5-[(2-amino-2-oxoethoxy)sulfamoyl]-2-chloro-3-fluorobenzoic acid
CID 115992021
2-[(3-fluoro-2-pyridinyl)sulfonylamino]oxyacetamide
CID 103298965
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]oxyacetamide
CID 113358305
2-(3-fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 90818403
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]oxyacetamide
CID 107858263
2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]oxyacetamide
CID 115992115
3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid
CID 115992016
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530
methyl 2-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 39655364
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]oxyacetamide
CID 112673502

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide (CID 112673521) is 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide is Cc1ccc(S(=O)(=O)NOCC(N)=O)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide?
The InChIKey is KUOKFEWGIVVVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-6-2-3-7(4-8(6)10)17(14,15)12-16-5-9(11)13/h2-4,12H,5H2,1H3,(H2,11,13).
What are the key properties of 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide?
2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide has a molecular weight of 262.26 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 112673521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).