4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid

C8H9F2NO5S — CID 115405520

IUPAC4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H9F2NO5S/c1-4-6(2-5(16-4)8(12)13)17(14,15)11-3-7(9)10/h2,7,11H,3H2,1H3,(H,12,13)
InChIKeyNVSOAOHSCBXSBJ-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.83
Rot. Bonds5

About 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid

4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid (PubChem CID 115405520) has the molecular formula C8H9F2NO5S and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid
PubChem CID115405520
Molecular FormulaC8H9F2NO5S
Molecular Weight269.23 g/mol
Exact Mass269.02
IUPAC Name4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H9F2NO5S/c1-4-6(2-5(16-4)8(12)13)17(14,15)11-3-7(9)10/h2,7,11H,3H2,1H3,(H,12,13)
InChIKeyNVSOAOHSCBXSBJ-UHFFFAOYSA-N
XLogP0.83
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid (CID 115405520) is 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is NVSOAOHSCBXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO5S/c1-4-6(2-5(16-4)8(12)13)17(14,15)11-3-7(9)10/h2,7,11H,3H2,1H3,(H,12,13).
What are the key properties of 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid?
4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 269.23 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylsulfamoyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 115405520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).