4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid

C8H7N3O4S2 — CID 55247817

IUPAC4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C8H7N3O4S2/c12-8(13)6-3-5(4-16-6)17(14,15)11-7-1-2-9-10-7/h1-4H,(H,12,13)(H2,9,10,11)
InChIKeyJIDFHNWAFZZICX-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.97
Rot. Bonds4

About 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid

4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 55247817) has the molecular formula C8H7N3O4S2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID55247817
Molecular FormulaC8H7N3O4S2
Molecular Weight273.30 g/mol
Exact Mass272.99
IUPAC Name4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C8H7N3O4S2/c12-8(13)6-3-5(4-16-6)17(14,15)11-7-1-2-9-10-7/h1-4H,(H,12,13)(H2,9,10,11)
InChIKeyJIDFHNWAFZZICX-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 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid (CID 55247817) is 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccn[nH]2)cs1.
What is the InChIKey of 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is JIDFHNWAFZZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S2/c12-8(13)6-3-5(4-16-6)17(14,15)11-7-1-2-9-10-7/h1-4H,(H,12,13)(H2,9,10,11).
What are the key properties of 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid?
4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-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 4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).