5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid

C11H15NO6S — CID 114118892

IUPAC5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCOC1CC(NS(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO6S/c1-2-17-8-5-7(6-8)12-19(15,16)10-4-3-9(18-10)11(13)14/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyWYBPGOWGOWAAEV-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.82
Rot. Bonds6

About 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid

5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 114118892) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID114118892
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCOC1CC(NS(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO6S/c1-2-17-8-5-7(6-8)12-19(15,16)10-4-3-9(18-10)11(13)14/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyWYBPGOWGOWAAEV-UHFFFAOYSA-N
XLogP0.82
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 64733660
5-(aminomethyl)-N-(3-ethoxycyclobutyl)furan-2-sulfonamide
CID 114120981
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 43715406
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
CID 114120079
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
5-[(2-methylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 55171280
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid (CID 114118892) is 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid is CCOC1CC(NS(=O)(=O)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is WYBPGOWGOWAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-2-17-8-5-7(6-8)12-19(15,16)10-4-3-9(18-10)11(13)14/h3-4,7-8,12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid?
5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114118892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).