3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride

C9H6ClFN2O2S — CID 54594289

IUPAC3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H6ClFN2O2S/c10-16(14,15)7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H
InChIKeyRIBBTTJUTZPZML-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.94
Rot. Bonds2

About 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride

3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride (PubChem CID 54594289) has the molecular formula C9H6ClFN2O2S and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride
PubChem CID54594289
Molecular FormulaC9H6ClFN2O2S
Molecular Weight260.68 g/mol
Exact Mass259.98
IUPAC Name3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H6ClFN2O2S/c10-16(14,15)7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H
InChIKeyRIBBTTJUTZPZML-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 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride (CID 54594289) is 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride?
The InChIKey is RIBBTTJUTZPZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2S/c10-16(14,15)7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H.
What are the key properties of 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride?
3-fluoro-4-pyrazol-1-ylbenzenesulfonyl 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 3-fluoro-4-pyrazol-1-ylbenzenesulfonyl chloride is sourced from PubChem (CID 54594289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).