5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C11H13N3O5S — CID 104617496

IUPAC5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1
InChIInChI=1S/C11H13N3O5S/c1-2-3-7-6-9(13-12-7)14-20(17,18)10-5-4-8(19-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,12,13,14)
InChIKeyGVSZEXFDWMWMKX-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.45
Rot. Bonds6

About 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104617496) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104617496
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1
InChIInChI=1S/C11H13N3O5S/c1-2-3-7-6-9(13-12-7)14-20(17,18)10-5-4-8(19-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,12,13,14)
InChIKeyGVSZEXFDWMWMKX-UHFFFAOYSA-N
XLogP1.45
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 104617496) is 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is CCCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1.
What is the InChIKey of 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is GVSZEXFDWMWMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-2-3-7-6-9(13-12-7)14-20(17,18)10-5-4-8(19-10)11(15)16/h4-6H,2-3H2,1H3,(H,15,16)(H2,12,13,14).
What are the key properties of 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104617496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).