5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

C10H11N3O5S — CID 43543589

IUPAC5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C10H11N3O5S/c1-2-13-6-7(5-11-13)12-19(16,17)9-4-3-8(18-9)10(14)15/h3-6,12H,2H2,1H3,(H,14,15)
InChIKeyDFPXTBQECMHIIS-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.00
Rot. Bonds5

About 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43543589) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43543589
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C10H11N3O5S/c1-2-13-6-7(5-11-13)12-19(16,17)9-4-3-8(18-9)10(14)15/h3-6,12H,2H2,1H3,(H,14,15)
InChIKeyDFPXTBQECMHIIS-UHFFFAOYSA-N
XLogP1.00
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 43543589) is 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is CCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is DFPXTBQECMHIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-2-13-6-7(5-11-13)12-19(16,17)9-4-3-8(18-9)10(14)15/h3-6,12H,2H2,1H3,(H,14,15).
What are the key properties of 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43543589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).