5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C8H7N3O4S2 — CID 66351046

IUPAC5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C8H7N3O4S2/c12-8(13)6-3-9-10-7(6)17(14,15)11-5-1-2-16-4-5/h1-4,11H,(H,9,10)(H,12,13)
InChIKeyNEZCJQNERGLTOV-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.97
Rot. Bonds4

About 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 66351046) has the molecular formula C8H7N3O4S2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID66351046
Molecular FormulaC8H7N3O4S2
Molecular Weight273.30 g/mol
Exact Mass272.99
IUPAC Name5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C8H7N3O4S2/c12-8(13)6-3-9-10-7(6)17(14,15)11-5-1-2-16-4-5/h1-4,11H,(H,9,10)(H,12,13)
InChIKeyNEZCJQNERGLTOV-UHFFFAOYSA-N
XLogP0.97
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 66351046) is 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is NEZCJQNERGLTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S2/c12-8(13)6-3-9-10-7(6)17(14,15)11-5-1-2-16-4-5/h1-4,11H,(H,9,10)(H,12,13).
What are the key properties of 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 66351046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).