5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid

C8H10BrNO6S — CID 55119493

IUPAC5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid
SMILESCOCCNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C8H10BrNO6S/c1-15-3-2-10-17(13,14)6-4-5(8(11)12)16-7(6)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyNBIMISMINQIJLQ-UHFFFAOYSA-N
MW328.14 g/mol
LogP0.67
Rot. Bonds6

About 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 55119493) has the molecular formula C8H10BrNO6S and a molecular weight of 328.14 g/mol. Its IUPAC name is 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid
PubChem CID55119493
Molecular FormulaC8H10BrNO6S
Molecular Weight328.14 g/mol
Exact Mass326.94
IUPAC Name5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid
SMILESCOCCNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C8H10BrNO6S/c1-15-3-2-10-17(13,14)6-4-5(8(11)12)16-7(6)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyNBIMISMINQIJLQ-UHFFFAOYSA-N
XLogP0.67
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 50.67
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 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid (CID 55119493) is 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid is COCCNS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is NBIMISMINQIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO6S/c1-15-3-2-10-17(13,14)6-4-5(8(11)12)16-7(6)9/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 328.14 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methoxyethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 55119493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).