5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid

C11H15NO6S — CID 54917551

IUPAC5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCC2CCCO2)o1
InChIInChI=1S/C11H15NO6S/c13-11(14)9-3-4-10(18-9)19(15,16)12-6-5-8-2-1-7-17-8/h3-4,8,12H,1-2,5-7H2,(H,13,14)
InChIKeyGUJKTHUICJICQU-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.83
Rot. Bonds6

About 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid

5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 54917551) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID54917551
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCC2CCCO2)o1
InChIInChI=1S/C11H15NO6S/c13-11(14)9-3-4-10(18-9)19(15,16)12-6-5-8-2-1-7-17-8/h3-4,8,12H,1-2,5-7H2,(H,13,14)
InChIKeyGUJKTHUICJICQU-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid (CID 54917551) is 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCCC2CCCO2)o1.
What is the InChIKey of 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is GUJKTHUICJICQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c13-11(14)9-3-4-10(18-9)19(15,16)12-6-5-8-2-1-7-17-8/h3-4,8,12H,1-2,5-7H2,(H,13,14).
What are the key properties of 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 54917551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).