3-fluoro-4-pyrazol-1-ylbenzenesulfonamide

C9H8FN3O2S — CID 54594288

IUPAC3-fluoro-4-pyrazol-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H8FN3O2S/c10-8-6-7(16(11,14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H2,11,14,15)
InChIKeyYYJUFVHNCUWKJB-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.66
Rot. Bonds2

About 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide

3-fluoro-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 54594288) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID54594288
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC Name3-fluoro-4-pyrazol-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H8FN3O2S/c10-8-6-7(16(11,14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H2,11,14,15)
InChIKeyYYJUFVHNCUWKJB-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 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide (CID 54594288) is 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide is NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is YYJUFVHNCUWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c10-8-6-7(16(11,14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,(H2,11,14,15).
What are the key properties of 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide?
3-fluoro-4-pyrazol-1-ylbenzenesulfonamide 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 3-fluoro-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 54594288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).