5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid

C8H7BrF3NO5S — CID 62829351

IUPAC5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C8H7BrF3NO5S/c1-13(3-8(10,11)12)19(16,17)5-2-4(7(14)15)18-6(5)9/h2H,3H2,1H3,(H,14,15)
InChIKeyWQCAFDKPCBXBAO-UHFFFAOYSA-N
MW366.11 g/mol
LogP1.92
Rot. Bonds4

About 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62829351) has the molecular formula C8H7BrF3NO5S and a molecular weight of 366.11 g/mol. Its IUPAC name is 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62829351
Molecular FormulaC8H7BrF3NO5S
Molecular Weight366.11 g/mol
Exact Mass364.92
IUPAC Name5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C8H7BrF3NO5S/c1-13(3-8(10,11)12)19(16,17)5-2-4(7(14)15)18-6(5)9/h2H,3H2,1H3,(H,14,15)
InChIKeyWQCAFDKPCBXBAO-UHFFFAOYSA-N
XLogP1.92
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.11
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-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 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid (CID 62829351) is 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid is CN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is WQCAFDKPCBXBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO5S/c1-13(3-8(10,11)12)19(16,17)5-2-4(7(14)15)18-6(5)9/h2H,3H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 366.11 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62829351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).