2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid

C8H7F2NO5S — CID 60661324

IUPAC2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C8H7F2NO5S/c9-5-1-2-7(6(10)3-5)17(14,15)11-16-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyNNWADLIPWFVNQK-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.26
Rot. Bonds5

About 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid

2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid (PubChem CID 60661324) has the molecular formula C8H7F2NO5S and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
PubChem CID60661324
Molecular FormulaC8H7F2NO5S
Molecular Weight267.21 g/mol
Exact Mass267.00
IUPAC Name2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C8H7F2NO5S/c9-5-1-2-7(6(10)3-5)17(14,15)11-16-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyNNWADLIPWFVNQK-UHFFFAOYSA-N
XLogP0.26
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.26
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-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
CID 61062135
2-[(2-chloro-5-fluorophenyl)sulfonylamino]oxyacetamide
CID 105400000
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid
CID 65101242

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid (CID 60661324) is 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid?
The InChIKey is NNWADLIPWFVNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO5S/c9-5-1-2-7(6(10)3-5)17(14,15)11-16-4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid?
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid has a molecular weight of 267.21 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).