5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid

C10H12BrNO5S — CID 104656520

IUPAC5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(C1CCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H12BrNO5S/c1-12(6-3-2-4-6)18(15,16)8-5-7(10(13)14)17-9(8)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyNUPPIIFULAHURI-UHFFFAOYSA-N
MW338.18 g/mol
LogP1.91
Rot. Bonds4

About 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104656520) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104656520
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(C1CCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H12BrNO5S/c1-12(6-3-2-4-6)18(15,16)8-5-7(10(13)14)17-9(8)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyNUPPIIFULAHURI-UHFFFAOYSA-N
XLogP1.91
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 104656520) is 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid is CN(C1CCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is NUPPIIFULAHURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c1-12(6-3-2-4-6)18(15,16)8-5-7(10(13)14)17-9(8)11/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 338.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104656520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).