2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid

C11H13F2NO5S — CID 167816256

IUPAC2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid
SMILESCc1cc(F)c(S(=O)(=O)NOC(C)(C)C(=O)O)cc1F
InChIInChI=1S/C11H13F2NO5S/c1-6-4-8(13)9(5-7(6)12)20(17,18)14-19-11(2,3)10(15)16/h4-5,14H,1-3H3,(H,15,16)
InChIKeyYKVSISRLDVPWBH-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.35
Rot. Bonds5

About 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid

2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid (PubChem CID 167816256) has the molecular formula C11H13F2NO5S and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid
PubChem CID167816256
Molecular FormulaC11H13F2NO5S
Molecular Weight309.29 g/mol
Exact Mass309.05
IUPAC Name2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid
SMILESCc1cc(F)c(S(=O)(=O)NOC(C)(C)C(=O)O)cc1F
InChIInChI=1S/C11H13F2NO5S/c1-6-4-8(13)9(5-7(6)12)20(17,18)14-19-11(2,3)10(15)16/h4-5,14H,1-3H3,(H,15,16)
InChIKeyYKVSISRLDVPWBH-UHFFFAOYSA-N
XLogP1.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid (CID 167816256) is 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid is Cc1cc(F)c(S(=O)(=O)NOC(C)(C)C(=O)O)cc1F.
What is the InChIKey of 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid?
The InChIKey is YKVSISRLDVPWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO5S/c1-6-4-8(13)9(5-7(6)12)20(17,18)14-19-11(2,3)10(15)16/h4-5,14H,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid?
2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid has a molecular weight of 309.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 167816256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).