5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid

C10H14BrNO6S — CID 79253717

IUPAC5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)C(CO)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO6S/c1-5(2)6(4-13)12-19(16,17)8-3-7(10(14)15)18-9(8)11/h3,5-6,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyOGDYEYYUUQDGEL-UHFFFAOYSA-N
MW356.19 g/mol
LogP1.04
Rot. Bonds6

About 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 79253717) has the molecular formula C10H14BrNO6S and a molecular weight of 356.19 g/mol. Its IUPAC name is 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID79253717
Molecular FormulaC10H14BrNO6S
Molecular Weight356.19 g/mol
Exact Mass354.97
IUPAC Name5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)C(CO)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO6S/c1-5(2)6(4-13)12-19(16,17)8-3-7(10(14)15)18-9(8)11/h3,5-6,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyOGDYEYYUUQDGEL-UHFFFAOYSA-N
XLogP1.04
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid (CID 79253717) is 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid is CC(C)C(CO)NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is OGDYEYYUUQDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO6S/c1-5(2)6(4-13)12-19(16,17)8-3-7(10(14)15)18-9(8)11/h3,5-6,12-13H,4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 356.19 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 79253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).