5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid

C11H17NO6S — CID 63698098

IUPAC5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO6S/c1-3-12(7-8-17-4-2)19(15,16)10-6-5-9(18-10)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyUUBMNXJSUHRWKW-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.02
Rot. Bonds8

About 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid

5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 63698098) has the molecular formula C11H17NO6S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID63698098
Molecular FormulaC11H17NO6S
Molecular Weight291.33 g/mol
Exact Mass291.08
IUPAC Name5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO6S/c1-3-12(7-8-17-4-2)19(15,16)10-6-5-9(18-10)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyUUBMNXJSUHRWKW-UHFFFAOYSA-N
XLogP1.02
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid (CID 63698098) is 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid is CCOCCN(CC)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is UUBMNXJSUHRWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c1-3-12(7-8-17-4-2)19(15,16)10-6-5-9(18-10)11(13)14/h5-6H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid?
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 63698098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).