5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid

C11H6BrFINO5S — CID 79758173

IUPAC5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2I)c(Br)o1
InChIInChI=1S/C11H6BrFINO5S/c12-10-9(4-8(20-10)11(16)17)21(18,19)15-7-2-1-5(13)3-6(7)14/h1-4,15H,(H,16,17)
InChIKeyXSFXDSPLENRDHS-UHFFFAOYSA-N
MW490.04 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 79758173) has the molecular formula C11H6BrFINO5S and a molecular weight of 490.04 g/mol. Its IUPAC name is 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID79758173
Molecular FormulaC11H6BrFINO5S
Molecular Weight490.04 g/mol
Exact Mass488.82
IUPAC Name5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2I)c(Br)o1
InChIInChI=1S/C11H6BrFINO5S/c12-10-9(4-8(20-10)11(16)17)21(18,19)15-7-2-1-5(13)3-6(7)14/h1-4,15H,(H,16,17)
InChIKeyXSFXDSPLENRDHS-UHFFFAOYSA-N
XLogP3.28
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 81260387
5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775676
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803639
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
CID 79768669
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid (CID 79758173) is 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2I)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is XSFXDSPLENRDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFINO5S/c12-10-9(4-8(20-10)11(16)17)21(18,19)15-7-2-1-5(13)3-6(7)14/h1-4,15H,(H,16,17).
What are the key properties of 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 490.04 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 79758173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).