5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid

C11H15NO6S — CID 43533871

IUPAC5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CCCO1
InChIInChI=1S/C11H15NO6S/c1-7(8-3-2-6-17-8)12-19(15,16)10-5-4-9(18-10)11(13)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyDKXFONZROHMVIC-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.82
Rot. Bonds5

About 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid

5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 43533871) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID43533871
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CCCO1
InChIInChI=1S/C11H15NO6S/c1-7(8-3-2-6-17-8)12-19(15,16)10-5-4-9(18-10)11(13)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyDKXFONZROHMVIC-UHFFFAOYSA-N
XLogP0.82
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid (CID 43533871) is 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid is CC(NS(=O)(=O)c1ccc(C(=O)O)o1)C1CCCO1.
What is the InChIKey of 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is DKXFONZROHMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-7(8-3-2-6-17-8)12-19(15,16)10-5-4-9(18-10)11(13)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43533871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).