5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid

C13H18BrNO5S — CID 63995282

IUPAC5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C(C)C1
InChIInChI=1S/C13H18BrNO5S/c1-7-3-4-9(8(2)5-7)15-21(18,19)11-6-10(13(16)17)20-12(11)14/h6-9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyYGNRDDONVDYIIH-UHFFFAOYSA-N
MW380.26 g/mol
LogP2.84
Rot. Bonds4

About 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 63995282) has the molecular formula C13H18BrNO5S and a molecular weight of 380.26 g/mol. Its IUPAC name is 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID63995282
Molecular FormulaC13H18BrNO5S
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C(C)C1
InChIInChI=1S/C13H18BrNO5S/c1-7-3-4-9(8(2)5-7)15-21(18,19)11-6-10(13(16)17)20-12(11)14/h6-9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyYGNRDDONVDYIIH-UHFFFAOYSA-N
XLogP2.84
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714938
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993731
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid (CID 63995282) is 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid is CC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C(C)C1.
What is the InChIKey of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is YGNRDDONVDYIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO5S/c1-7-3-4-9(8(2)5-7)15-21(18,19)11-6-10(13(16)17)20-12(11)14/h6-9,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 380.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63995282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).