5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid

C10H14BrNO5S — CID 55119539

IUPAC5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
SMILESCCC(CC)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO5S/c1-3-6(4-2)12-18(15,16)8-5-7(10(13)14)17-9(8)11/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeySYIKGKCEWFMGQE-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.21
Rot. Bonds6

About 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 55119539) has the molecular formula C10H14BrNO5S and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID55119539
Molecular FormulaC10H14BrNO5S
Molecular Weight340.20 g/mol
Exact Mass338.98
IUPAC Name5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
SMILESCCC(CC)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H14BrNO5S/c1-3-6(4-2)12-18(15,16)8-5-7(10(13)14)17-9(8)11/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeySYIKGKCEWFMGQE-UHFFFAOYSA-N
XLogP2.21
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid (CID 55119539) is 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid is CCC(CC)NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is SYIKGKCEWFMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO5S/c1-3-6(4-2)12-18(15,16)8-5-7(10(13)14)17-9(8)11/h5-6,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 340.20 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 55119539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).