5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid

C8H7N3O5S — CID 43540189

IUPAC5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)o1
InChIInChI=1S/C8H7N3O5S/c12-8(13)6-1-2-7(16-6)17(14,15)11-5-3-9-10-4-5/h1-4,11H,(H,9,10)(H,12,13)
InChIKeyHRTNNRNNVXPFGN-UHFFFAOYSA-N
MW257.23 g/mol
LogP0.50
Rot. Bonds4

About 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid

5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 43540189) has the molecular formula C8H7N3O5S and a molecular weight of 257.23 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID43540189
Molecular FormulaC8H7N3O5S
Molecular Weight257.23 g/mol
Exact Mass257.01
IUPAC Name5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)o1
InChIInChI=1S/C8H7N3O5S/c12-8(13)6-1-2-7(16-6)17(14,15)11-5-3-9-10-4-5/h1-4,11H,(H,9,10)(H,12,13)
InChIKeyHRTNNRNNVXPFGN-UHFFFAOYSA-N
XLogP0.50
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid (CID 43540189) is 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)o1.
What is the InChIKey of 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is HRTNNRNNVXPFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5S/c12-8(13)6-1-2-7(16-6)17(14,15)11-5-3-9-10-4-5/h1-4,11H,(H,9,10)(H,12,13).
What are the key properties of 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid?
5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 257.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 43540189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).