5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide

C8H8FN5O2S — CID 107594731

IUPAC5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C8H8FN5O2S/c9-5-3-11-2-1-6(5)14-17(15,16)7-4-12-13-8(7)10/h1-4H,(H,11,14)(H3,10,12,13)
InChIKeyMLCQRQPYPQUHNX-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.33
Rot. Bonds3

About 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107594731) has the molecular formula C8H8FN5O2S and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
PubChem CID107594731
Molecular FormulaC8H8FN5O2S
Molecular Weight257.25 g/mol
Exact Mass257.04
IUPAC Name5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C8H8FN5O2S/c9-5-3-11-2-1-6(5)14-17(15,16)7-4-12-13-8(7)10/h1-4H,(H,11,14)(H3,10,12,13)
InChIKeyMLCQRQPYPQUHNX-UHFFFAOYSA-N
XLogP0.33
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide (CID 107594731) is 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccncc1F.
What is the InChIKey of 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MLCQRQPYPQUHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2S/c9-5-3-11-2-1-6(5)14-17(15,16)7-4-12-13-8(7)10/h1-4H,(H,11,14)(H3,10,12,13).
What are the key properties of 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 257.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107594731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).