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

C8H7FN4O2S — CID 107595249

IUPACN-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1ccn[nH]1
InChIInChI=1S/C8H7FN4O2S/c9-6-5-10-3-1-7(6)13-16(14,15)8-2-4-11-12-8/h1-5H,(H,10,13)(H,11,12)
InChIKeyZGPJCXGWIXEKFO-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.74
Rot. Bonds3

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

N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107595249) has the molecular formula C8H7FN4O2S and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
PubChem CID107595249
Molecular FormulaC8H7FN4O2S
Molecular Weight242.24 g/mol
Exact Mass242.03
IUPAC NameN-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1ccn[nH]1
InChIInChI=1S/C8H7FN4O2S/c9-6-5-10-3-1-7(6)13-16(14,15)8-2-4-11-12-8/h1-5H,(H,10,13)(H,11,12)
InChIKeyZGPJCXGWIXEKFO-UHFFFAOYSA-N
XLogP0.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide (CID 107595249) is N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccncc1F)c1ccn[nH]1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZGPJCXGWIXEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O2S/c9-6-5-10-3-1-7(6)13-16(14,15)8-2-4-11-12-8/h1-5H,(H,10,13)(H,11,12).
What are the key properties of N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 242.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107595249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).