4-fluoro-1-phenylpyrazole-3-sulfonamide

C9H8FN3O2S — CID 146617927

IUPAC4-fluoro-1-phenylpyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(-c2ccccc2)cc1F
InChIInChI=1S/C9H8FN3O2S/c10-8-6-13(7-4-2-1-3-5-7)12-9(8)16(11,14)15/h1-6H,(H2,11,14,15)
InChIKeyNYXXJFWUCTYKAX-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.66
Rot. Bonds2

About 4-fluoro-1-phenylpyrazole-3-sulfonamide

4-fluoro-1-phenylpyrazole-3-sulfonamide (PubChem CID 146617927) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-fluoro-1-phenylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-1-phenylpyrazole-3-sulfonamide
PubChem CID146617927
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC Name4-fluoro-1-phenylpyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(-c2ccccc2)cc1F
InChIInChI=1S/C9H8FN3O2S/c10-8-6-13(7-4-2-1-3-5-7)12-9(8)16(11,14)15/h1-6H,(H2,11,14,15)
InChIKeyNYXXJFWUCTYKAX-UHFFFAOYSA-N
XLogP0.66
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-phenylpyrazole-3-sulfonamide?
The IUPAC name of 4-fluoro-1-phenylpyrazole-3-sulfonamide (CID 146617927) is 4-fluoro-1-phenylpyrazole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-1-phenylpyrazole-3-sulfonamide?
The canonical SMILES for 4-fluoro-1-phenylpyrazole-3-sulfonamide is NS(=O)(=O)c1nn(-c2ccccc2)cc1F.
What is the InChIKey of 4-fluoro-1-phenylpyrazole-3-sulfonamide?
The InChIKey is NYXXJFWUCTYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c10-8-6-13(7-4-2-1-3-5-7)12-9(8)16(11,14)15/h1-6H,(H2,11,14,15).
What are the key properties of 4-fluoro-1-phenylpyrazole-3-sulfonamide?
4-fluoro-1-phenylpyrazole-3-sulfonamide has a molecular weight of 241.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-phenylpyrazole-3-sulfonamide is sourced from PubChem (CID 146617927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).