5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid

C10H13NO6S — CID 43149841

IUPAC5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCO2)o1
InChIInChI=1S/C10H13NO6S/c12-10(13)8-3-4-9(17-8)18(14,15)11-6-7-2-1-5-16-7/h3-4,7,11H,1-2,5-6H2,(H,12,13)
InChIKeyRVPKULWTCNKPNV-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.44
Rot. Bonds5

About 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid

5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 43149841) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID43149841
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCO2)o1
InChIInChI=1S/C10H13NO6S/c12-10(13)8-3-4-9(17-8)18(14,15)11-6-7-2-1-5-16-7/h3-4,7,11H,1-2,5-6H2,(H,12,13)
InChIKeyRVPKULWTCNKPNV-UHFFFAOYSA-N
XLogP0.44
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 43149841) is 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC2CCCO2)o1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is RVPKULWTCNKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c12-10(13)8-3-4-9(17-8)18(14,15)11-6-7-2-1-5-16-7/h3-4,7,11H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 43149841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).