5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

C11H13N3O4S2 — CID 103004685

IUPAC5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H13N3O4S2/c1-14-9(2-4-12-14)3-5-13-20(17,18)10-6-8(7-19-10)11(15)16/h2,4,6-7,13H,3,5H2,1H3,(H,15,16)
InChIKeyGWWFQWYDUHUFCW-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.70
Rot. Bonds6

About 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 103004685) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID103004685
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H13N3O4S2/c1-14-9(2-4-12-14)3-5-13-20(17,18)10-6-8(7-19-10)11(15)16/h2,4,6-7,13H,3,5H2,1H3,(H,15,16)
InChIKeyGWWFQWYDUHUFCW-UHFFFAOYSA-N
XLogP0.70
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746
5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
CID 115515900

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (CID 103004685) is 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is Cn1nccc1CCNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is GWWFQWYDUHUFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-14-9(2-4-12-14)3-5-13-20(17,18)10-6-8(7-19-10)11(15)16/h2,4,6-7,13H,3,5H2,1H3,(H,15,16).
What are the key properties of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 103004685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).