5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid

C11H13N3O5S — CID 43695761

IUPAC5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-8(7-14-6-2-5-12-14)13-20(17,18)10-4-3-9(19-10)11(15)16/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyUMLGLMIDBLQAIM-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.54
Rot. Bonds6

About 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid

5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 43695761) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID43695761
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-8(7-14-6-2-5-12-14)13-20(17,18)10-4-3-9(19-10)11(15)16/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyUMLGLMIDBLQAIM-UHFFFAOYSA-N
XLogP0.54
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid (CID 43695761) is 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid is CC(Cn1cccn1)NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is UMLGLMIDBLQAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-8(7-14-6-2-5-12-14)13-20(17,18)10-4-3-9(19-10)11(15)16/h2-6,8,13H,7H2,1H3,(H,15,16).
What are the key properties of 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 43695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).