4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C11H13N3O5S — CID 104617678

IUPAC4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H13N3O5S/c1-3-7-5-12-13-10(7)14-20(17,18)9-4-8(11(15)16)19-6(9)2/h4-5H,3H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyFENPWUATRRQHJP-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.37
Rot. Bonds5

About 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 104617678) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID104617678
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H13N3O5S/c1-3-7-5-12-13-10(7)14-20(17,18)9-4-8(11(15)16)19-6(9)2/h4-5H,3H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyFENPWUATRRQHJP-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 104617678) is 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is CCc1cn[nH]c1NS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is FENPWUATRRQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-3-7-5-12-13-10(7)14-20(17,18)9-4-8(11(15)16)19-6(9)2/h4-5H,3H2,1-2H3,(H,15,16)(H2,12,13,14).
What are the key properties of 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 104617678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).