pyrazole-1-sulfonyl fluoride

C3H3FN2O2S — CID 14959300

IUPACpyrazole-1-sulfonyl fluoride
SMILESO=S(=O)(F)n1cccn1
InChIInChI=1S/C3H3FN2O2S/c4-9(7,8)6-3-1-2-5-6/h1-3H
InChIKeyDBSXDBCTSLPBJJ-UHFFFAOYSA-N
MW150.13 g/mol
LogP-0.05
Rot. Bonds1

About pyrazole-1-sulfonyl fluoride

pyrazole-1-sulfonyl fluoride (PubChem CID 14959300) has the molecular formula C3H3FN2O2S and a molecular weight of 150.13 g/mol. Its IUPAC name is pyrazole-1-sulfonyl fluoride.

Molecular Properties

Compound Namepyrazole-1-sulfonyl fluoride
PubChem CID14959300
Molecular FormulaC3H3FN2O2S
Molecular Weight150.13 g/mol
Exact Mass149.99
IUPAC Namepyrazole-1-sulfonyl fluoride
SMILESO=S(=O)(F)n1cccn1
InChIInChI=1S/C3H3FN2O2S/c4-9(7,8)6-3-1-2-5-6/h1-3H
InChIKeyDBSXDBCTSLPBJJ-UHFFFAOYSA-N
XLogP-0.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazole-1-sulfonyl fluoride?
The IUPAC name of pyrazole-1-sulfonyl fluoride (CID 14959300) is pyrazole-1-sulfonyl fluoride.
What is the SMILES notation for pyrazole-1-sulfonyl fluoride?
The canonical SMILES for pyrazole-1-sulfonyl fluoride is O=S(=O)(F)n1cccn1.
What is the InChIKey of pyrazole-1-sulfonyl fluoride?
The InChIKey is DBSXDBCTSLPBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2O2S/c4-9(7,8)6-3-1-2-5-6/h1-3H.
What are the key properties of pyrazole-1-sulfonyl fluoride?
pyrazole-1-sulfonyl fluoride has a molecular weight of 150.13 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazole-1-sulfonyl fluoride is sourced from PubChem (CID 14959300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).