2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid

C9H8F3NO5S — CID 60661367

IUPAC2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO5S/c10-9(11,12)6-3-1-2-4-7(6)19(16,17)13-18-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyXDTTXLXHSSGPMI-UHFFFAOYSA-N
MW299.23 g/mol
LogP1.00
Rot. Bonds5

About 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid

2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid (PubChem CID 60661367) has the molecular formula C9H8F3NO5S and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
PubChem CID60661367
Molecular FormulaC9H8F3NO5S
Molecular Weight299.23 g/mol
Exact Mass299.01
IUPAC Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO5S/c10-9(11,12)6-3-1-2-4-7(6)19(16,17)13-18-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyXDTTXLXHSSGPMI-UHFFFAOYSA-N
XLogP1.00
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 51.00
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

2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
CID 79469043
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715039
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid (CID 60661367) is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid?
The InChIKey is XDTTXLXHSSGPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO5S/c10-9(11,12)6-3-1-2-4-7(6)19(16,17)13-18-5-8(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid?
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid has a molecular weight of 299.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).