4-bromo-1-(4-fluorophenyl)sulfonylpyrazole

C9H6BrFN2O2S — CID 22200717

IUPAC4-bromo-1-(4-fluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(Br)cn1
InChIInChI=1S/C9H6BrFN2O2S/c10-7-5-12-13(6-7)16(14,15)9-3-1-8(11)2-4-9/h1-6H
InChIKeyRQJRXLLTOTXQGL-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.02
Rot. Bonds2

About 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole

4-bromo-1-(4-fluorophenyl)sulfonylpyrazole (PubChem CID 22200717) has the molecular formula C9H6BrFN2O2S and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)sulfonylpyrazole
PubChem CID22200717
Molecular FormulaC9H6BrFN2O2S
Molecular Weight305.13 g/mol
Exact Mass303.93
IUPAC Name4-bromo-1-(4-fluorophenyl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(Br)cn1
InChIInChI=1S/C9H6BrFN2O2S/c10-7-5-12-13(6-7)16(14,15)9-3-1-8(11)2-4-9/h1-6H
InChIKeyRQJRXLLTOTXQGL-UHFFFAOYSA-N
XLogP2.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole 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 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole (CID 22200717) is 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole is O=S(=O)(c1ccc(F)cc1)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole?
The InChIKey is RQJRXLLTOTXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2S/c10-7-5-12-13(6-7)16(14,15)9-3-1-8(11)2-4-9/h1-6H.
What are the key properties of 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole?
4-bromo-1-(4-fluorophenyl)sulfonylpyrazole has a molecular weight of 305.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 22200717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).