1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride

C9H6ClFN2O2S — CID 43531764

IUPAC1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C9H6ClFN2O2S/c10-16(14,15)9-5-12-13(6-9)8-3-1-7(11)2-4-8/h1-6H
InChIKeyUBXUFMHCHGUINZ-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride

1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride (PubChem CID 43531764) has the molecular formula C9H6ClFN2O2S and a molecular weight of 260.68 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride
PubChem CID43531764
Molecular FormulaC9H6ClFN2O2S
Molecular Weight260.68 g/mol
Exact Mass259.98
IUPAC Name1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C9H6ClFN2O2S/c10-16(14,15)9-5-12-13(6-9)8-3-1-7(11)2-4-8/h1-6H
InChIKeyUBXUFMHCHGUINZ-UHFFFAOYSA-N
XLogP1.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride (CID 43531764) is 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is UBXUFMHCHGUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2S/c10-16(14,15)9-5-12-13(6-9)8-3-1-7(11)2-4-8/h1-6H.
What are the key properties of 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride?
1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 260.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43531764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).