4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

C10H13F2NO6S — CID 103091340

IUPAC4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C10H13F2NO6S/c1-6-8(4-7(19-6)10(14)15)20(16,17)13-2-3-18-5-9(11)12/h4,9,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyGENXXYNKIAOBDF-UHFFFAOYSA-N
MW313.28 g/mol
LogP0.85
Rot. Bonds8

About 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 103091340) has the molecular formula C10H13F2NO6S and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID103091340
Molecular FormulaC10H13F2NO6S
Molecular Weight313.28 g/mol
Exact Mass313.04
IUPAC Name4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C10H13F2NO6S/c1-6-8(4-7(19-6)10(14)15)20(16,17)13-2-3-18-5-9(11)12/h4,9,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyGENXXYNKIAOBDF-UHFFFAOYSA-N
XLogP0.85
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 103091340) is 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is GENXXYNKIAOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO6S/c1-6-8(4-7(19-6)10(14)15)20(16,17)13-2-3-18-5-9(11)12/h4,9,13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 313.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103091340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).