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

C11H13N3O5S — CID 104617521

IUPAC5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1
InChIInChI=1S/C11H13N3O5S/c1-6(2)7-5-9(13-12-7)14-20(17,18)10-4-3-8(19-10)11(15)16/h3-6H,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyVDENGCDAICLACA-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.63
Rot. Bonds5

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

5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104617521) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104617521
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1
InChIInChI=1S/C11H13N3O5S/c1-6(2)7-5-9(13-12-7)14-20(17,18)10-4-3-8(19-10)11(15)16/h3-6H,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyVDENGCDAICLACA-UHFFFAOYSA-N
XLogP1.63
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 104617521) is 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is CC(C)c1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n[nH]1.
What is the InChIKey of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VDENGCDAICLACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6(2)7-5-9(13-12-7)14-20(17,18)10-4-3-8(19-10)11(15)16/h3-6H,1-2H3,(H,15,16)(H2,12,13,14).
What are the key properties of 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104617521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).