1-pyridin-4-ylpyrazole-4-sulfonamide

C8H8N4O2S — CID 61394896

IUPAC1-pyridin-4-ylpyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2ccncc2)c1
InChIInChI=1S/C8H8N4O2S/c9-15(13,14)8-5-11-12(6-8)7-1-3-10-4-2-7/h1-6H,(H2,9,13,14)
InChIKeyRETGBIGLXDHVOQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.09
Rot. Bonds2

About 1-pyridin-4-ylpyrazole-4-sulfonamide

1-pyridin-4-ylpyrazole-4-sulfonamide (PubChem CID 61394896) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-pyridin-4-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-pyridin-4-ylpyrazole-4-sulfonamide
PubChem CID61394896
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name1-pyridin-4-ylpyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2ccncc2)c1
InChIInChI=1S/C8H8N4O2S/c9-15(13,14)8-5-11-12(6-8)7-1-3-10-4-2-7/h1-6H,(H2,9,13,14)
InChIKeyRETGBIGLXDHVOQ-UHFFFAOYSA-N
XLogP-0.09
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-pyridin-4-ylpyrazole-4-sulfonamide (CID 61394896) is 1-pyridin-4-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-pyridin-4-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-pyridin-4-ylpyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(-c2ccncc2)c1.
What is the InChIKey of 1-pyridin-4-ylpyrazole-4-sulfonamide?
The InChIKey is RETGBIGLXDHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-15(13,14)8-5-11-12(6-8)7-1-3-10-4-2-7/h1-6H,(H2,9,13,14).
What are the key properties of 1-pyridin-4-ylpyrazole-4-sulfonamide?
1-pyridin-4-ylpyrazole-4-sulfonamide has a molecular weight of 224.25 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 61394896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).