5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid

C13H19NO5S — CID 62406823

IUPAC5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CCCCC1
InChIInChI=1S/C13H19NO5S/c1-9(10-5-3-2-4-6-10)14-20(17,18)12-8-7-11(19-12)13(15)16/h7-10,14H,2-6H2,1H3,(H,15,16)
InChIKeyINZLPUCYTWCDDR-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.22
Rot. Bonds5

About 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid

5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62406823) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62406823
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CCCCC1
InChIInChI=1S/C13H19NO5S/c1-9(10-5-3-2-4-6-10)14-20(17,18)12-8-7-11(19-12)13(15)16/h7-10,14H,2-6H2,1H3,(H,15,16)
InChIKeyINZLPUCYTWCDDR-UHFFFAOYSA-N
XLogP2.22
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43149868
5-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfonylfuran-2-carboxylic acid
CID 63943586
N-(1-cyclopentylethyl)-5-[(cyclopropylamino)methyl]furan-2-sulfonamide
CID 106066048
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81350795
5-[(2-methylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 55171280
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 64733660

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid (CID 62406823) is 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid is CC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CCCCC1.
What is the InChIKey of 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is INZLPUCYTWCDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-9(10-5-3-2-4-6-10)14-20(17,18)12-8-7-11(19-12)13(15)16/h7-10,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid?
5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 301.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62406823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).