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

C11H15NO6S — CID 55014192

IUPAC5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCCO2)o1
InChIInChI=1S/C11H15NO6S/c13-11(14)9-4-5-10(18-9)19(15,16)12-7-8-3-1-2-6-17-8/h4-5,8,12H,1-3,6-7H2,(H,13,14)
InChIKeySTYNAVWKPIMIOY-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.83
Rot. Bonds5

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

5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 55014192) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID55014192
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CCCCO2)o1
InChIInChI=1S/C11H15NO6S/c13-11(14)9-4-5-10(18-9)19(15,16)12-7-8-3-1-2-6-17-8/h4-5,8,12H,1-3,6-7H2,(H,13,14)
InChIKeySTYNAVWKPIMIOY-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 55014192) is 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC2CCCCO2)o1.
What is the InChIKey of 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is STYNAVWKPIMIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c13-11(14)9-4-5-10(18-9)19(15,16)12-7-8-3-1-2-6-17-8/h4-5,8,12H,1-3,6-7H2,(H,13,14).
What are the key properties of 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 55014192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).