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

C7H8BrNO5S — CID 62805600

IUPAC5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C7H8BrNO5S/c1-9(2)15(12,13)5-3-4(7(10)11)14-6(5)8/h3H,1-2H3,(H,10,11)
InChIKeySALBIJRHCYJBMU-UHFFFAOYSA-N
MW298.11 g/mol
LogP0.99
Rot. Bonds3

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

5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62805600) has the molecular formula C7H8BrNO5S and a molecular weight of 298.11 g/mol. Its IUPAC name is 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62805600
Molecular FormulaC7H8BrNO5S
Molecular Weight298.11 g/mol
Exact Mass296.93
IUPAC Name5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C7H8BrNO5S/c1-9(2)15(12,13)5-3-4(7(10)11)14-6(5)8/h3H,1-2H3,(H,10,11)
InChIKeySALBIJRHCYJBMU-UHFFFAOYSA-N
XLogP0.99
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
5-bromo-4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62830573
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62803816
5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
CID 62803983
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 62831095
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
CID 107479013
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397
4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 62829535
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid (CID 62805600) is 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid is CN(C)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is SALBIJRHCYJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO5S/c1-9(2)15(12,13)5-3-4(7(10)11)14-6(5)8/h3H,1-2H3,(H,10,11).
What are the key properties of 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 298.11 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62805600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).