5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid

C11H6Br2FNO5S — CID 104775676

IUPAC5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c(Br)o1
InChIInChI=1S/C11H6Br2FNO5S/c12-6-3-5(1-2-7(6)14)15-21(18,19)9-4-8(11(16)17)20-10(9)13/h1-4,15H,(H,16,17)
InChIKeyPTIZYXWJSYIEOI-UHFFFAOYSA-N
MW443.04 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104775676) has the molecular formula C11H6Br2FNO5S and a molecular weight of 443.04 g/mol. Its IUPAC name is 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104775676
Molecular FormulaC11H6Br2FNO5S
Molecular Weight443.04 g/mol
Exact Mass440.83
IUPAC Name5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c(Br)o1
InChIInChI=1S/C11H6Br2FNO5S/c12-6-3-5(1-2-7(6)14)15-21(18,19)9-4-8(11(16)17)20-10(9)13/h1-4,15H,(H,16,17)
InChIKeyPTIZYXWJSYIEOI-UHFFFAOYSA-N
XLogP3.44
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.04
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 81260387
5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
CID 79758173
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058
5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803639
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid (CID 104775676) is 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is PTIZYXWJSYIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2FNO5S/c12-6-3-5(1-2-7(6)14)15-21(18,19)9-4-8(11(16)17)20-10(9)13/h1-4,15H,(H,16,17).
What are the key properties of 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 443.04 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104775676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).