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

C11H14BrNO5S — CID 62803816

IUPAC5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C11H14BrNO5S/c1-13(7-4-2-3-5-7)19(16,17)9-6-8(11(14)15)18-10(9)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyWPYNYIAKROJGNI-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.30
Rot. Bonds4

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

5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62803816) has the molecular formula C11H14BrNO5S and a molecular weight of 352.21 g/mol. Its IUPAC name is 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62803816
Molecular FormulaC11H14BrNO5S
Molecular Weight352.21 g/mol
Exact Mass350.98
IUPAC Name5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C11H14BrNO5S/c1-13(7-4-2-3-5-7)19(16,17)9-6-8(11(14)15)18-10(9)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyWPYNYIAKROJGNI-UHFFFAOYSA-N
XLogP2.30
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.30
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-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803631
5-bromo-4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62830573
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 62805034
5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
CID 62803983
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-3-[cyclopentyl(methyl)sulfamoyl]-2-fluorobenzoic acid
CID 43267075
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
3-bromo-5-[cyclobutyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 104656514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 62803816) is 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid is CN(C1CCCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is WPYNYIAKROJGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S/c1-13(7-4-2-3-5-7)19(16,17)9-6-8(11(14)15)18-10(9)12/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 352.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62803816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).