5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid

C10H11N3O4S2 — CID 61462775

IUPAC5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCn2cccn2)s1
InChIInChI=1S/C10H11N3O4S2/c14-10(15)8-2-3-9(18-8)19(16,17)12-5-7-13-6-1-4-11-13/h1-4,6,12H,5,7H2,(H,14,15)
InChIKeyXVEIBBYIJAVTIB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.62
Rot. Bonds6

About 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid

5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61462775) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61462775
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCn2cccn2)s1
InChIInChI=1S/C10H11N3O4S2/c14-10(15)8-2-3-9(18-8)19(16,17)12-5-7-13-6-1-4-11-13/h1-4,6,12H,5,7H2,(H,14,15)
InChIKeyXVEIBBYIJAVTIB-UHFFFAOYSA-N
XLogP0.62
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014
4-bromo-3-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463139
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 19616663
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid (CID 61462775) is 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCCn2cccn2)s1.
What is the InChIKey of 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XVEIBBYIJAVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c14-10(15)8-2-3-9(18-8)19(16,17)12-5-7-13-6-1-4-11-13/h1-4,6,12H,5,7H2,(H,14,15).
What are the key properties of 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61462775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).