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

C10H11N3O4S2 — CID 113433470

IUPAC4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1cc(NS(=O)(=O)c2csc(C(=O)O)c2)n[nH]1
InChIInChI=1S/C10H11N3O4S2/c1-2-6-3-9(12-11-6)13-19(16,17)7-4-8(10(14)15)18-5-7/h3-5H,2H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyAGSDSHJHDXXNEE-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.53
Rot. Bonds5

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

4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 113433470) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID113433470
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1cc(NS(=O)(=O)c2csc(C(=O)O)c2)n[nH]1
InChIInChI=1S/C10H11N3O4S2/c1-2-6-3-9(12-11-6)13-19(16,17)7-4-8(10(14)15)18-5-7/h3-5H,2H2,1H3,(H,14,15)(H2,11,12,13)
InChIKeyAGSDSHJHDXXNEE-UHFFFAOYSA-N
XLogP1.53
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 104617455
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 116812709
4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55247817
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 27243480
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 114279782

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 113433470) is 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is CCc1cc(NS(=O)(=O)c2csc(C(=O)O)c2)n[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AGSDSHJHDXXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-2-6-3-9(12-11-6)13-19(16,17)7-4-8(10(14)15)18-5-7/h3-5H,2H2,1H3,(H,14,15)(H2,11,12,13).
What are the key properties of 4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.53, 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]thiophene-2-carboxylic acid is sourced from PubChem (CID 113433470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).