4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C11H13N3O4S2 — CID 104617455

IUPAC4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCCc1cc(NS(=O)(=O)c2cc(C(=O)O)sc2C)n[nH]1
InChIInChI=1S/C11H13N3O4S2/c1-3-7-4-10(13-12-7)14-20(17,18)9-5-8(11(15)16)19-6(9)2/h4-5H,3H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyZLNLSKWJRLEJFK-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.84
Rot. Bonds5

About 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 104617455) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID104617455
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCCc1cc(NS(=O)(=O)c2cc(C(=O)O)sc2C)n[nH]1
InChIInChI=1S/C11H13N3O4S2/c1-3-7-4-10(13-12-7)14-20(17,18)9-5-8(11(15)16)19-6(9)2/h4-5H,3H2,1-2H3,(H,15,16)(H2,12,13,14)
InChIKeyZLNLSKWJRLEJFK-UHFFFAOYSA-N
XLogP1.84
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 104617455) is 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is CCc1cc(NS(=O)(=O)c2cc(C(=O)O)sc2C)n[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is ZLNLSKWJRLEJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-3-7-4-10(13-12-7)14-20(17,18)9-5-8(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-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 104617455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).