5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C14H13N3O5S — CID 166397063

IUPAC5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(NS(=O)(=O)c1[nH]ncc1C(=O)O)c1coc2ccccc12
InChIInChI=1S/C14H13N3O5S/c1-8(11-7-22-12-5-3-2-4-9(11)12)17-23(20,21)13-10(14(18)19)6-15-16-13/h2-8,17H,1H3,(H,15,16)(H,18,19)
InChIKeyMHZCPBOTEPBPRS-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.89
Rot. Bonds5

About 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 166397063) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID166397063
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(NS(=O)(=O)c1[nH]ncc1C(=O)O)c1coc2ccccc12
InChIInChI=1S/C14H13N3O5S/c1-8(11-7-22-12-5-3-2-4-9(11)12)17-23(20,21)13-10(14(18)19)6-15-16-13/h2-8,17H,1H3,(H,15,16)(H,18,19)
InChIKeyMHZCPBOTEPBPRS-UHFFFAOYSA-N
XLogP1.89
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 166397063) is 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is CC(NS(=O)(=O)c1[nH]ncc1C(=O)O)c1coc2ccccc12.
What is the InChIKey of 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is MHZCPBOTEPBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-8(11-7-22-12-5-3-2-4-9(11)12)17-23(20,21)13-10(14(18)19)6-15-16-13/h2-8,17H,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 335.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 166397063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).