5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride

C9H6ClFN2O3S — CID 115051113

IUPAC5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccc(O)cc2)c1F
InChIInChI=1S/C9H6ClFN2O3S/c10-17(15,16)8-5-12-13(9(8)11)6-1-3-7(14)4-2-6/h1-5,14H
InChIKeyXBIFQUQOWJICJJ-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.64
Rot. Bonds2

About 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride

5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride (PubChem CID 115051113) has the molecular formula C9H6ClFN2O3S and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride
PubChem CID115051113
Molecular FormulaC9H6ClFN2O3S
Molecular Weight276.68 g/mol
Exact Mass275.98
IUPAC Name5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccc(O)cc2)c1F
InChIInChI=1S/C9H6ClFN2O3S/c10-17(15,16)8-5-12-13(9(8)11)6-1-3-7(14)4-2-6/h1-5,14H
InChIKeyXBIFQUQOWJICJJ-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride (CID 115051113) is 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2ccc(O)cc2)c1F.
What is the InChIKey of 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is XBIFQUQOWJICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O3S/c10-17(15,16)8-5-12-13(9(8)11)6-1-3-7(14)4-2-6/h1-5,14H.
What are the key properties of 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride?
5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 276.68 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115051113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).