5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C10H11N3O5S — CID 43149856

IUPAC5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n(C)n1
InChIInChI=1S/C10H11N3O5S/c1-6-5-8(13(2)11-6)12-19(16,17)9-4-3-7(18-9)10(14)15/h3-5,12H,1-2H3,(H,14,15)
InChIKeyXDWDJUQJPOFQIQ-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.82
Rot. Bonds4

About 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43149856) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43149856
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n(C)n1
InChIInChI=1S/C10H11N3O5S/c1-6-5-8(13(2)11-6)12-19(16,17)9-4-3-7(18-9)10(14)15/h3-5,12H,1-2H3,(H,14,15)
InChIKeyXDWDJUQJPOFQIQ-UHFFFAOYSA-N
XLogP0.82
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 43149856) is 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)n(C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is XDWDJUQJPOFQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-6-5-8(13(2)11-6)12-19(16,17)9-4-3-7(18-9)10(14)15/h3-5,12H,1-2H3,(H,14,15).
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43149856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).