5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid

C9H9N3O5S — CID 61283530

IUPAC5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccn[nH]2)o1
InChIInChI=1S/C9H9N3O5S/c13-9(14)7-1-2-8(17-7)18(15,16)11-5-6-3-4-10-12-6/h1-4,11H,5H2,(H,10,12)(H,13,14)
InChIKeyKXJMCVFUJNKYFP-UHFFFAOYSA-N
MW271.25 g/mol
LogP0.18
Rot. Bonds5

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

5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 61283530) has the molecular formula C9H9N3O5S and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID61283530
Molecular FormulaC9H9N3O5S
Molecular Weight271.25 g/mol
Exact Mass271.03
IUPAC Name5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccn[nH]2)o1
InChIInChI=1S/C9H9N3O5S/c13-9(14)7-1-2-8(17-7)18(15,16)11-5-6-3-4-10-12-6/h1-4,11H,5H2,(H,10,12)(H,13,14)
InChIKeyKXJMCVFUJNKYFP-UHFFFAOYSA-N
XLogP0.18
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 61283530) is 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2ccn[nH]2)o1.
What is the InChIKey of 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is KXJMCVFUJNKYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5S/c13-9(14)7-1-2-8(17-7)18(15,16)11-5-6-3-4-10-12-6/h1-4,11H,5H2,(H,10,12)(H,13,14).
What are the key properties of 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 61283530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).