1H-pyrazole-4-sulfonyl fluoride

C3H3FN2O2S — CID 122236175

IUPAC1H-pyrazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1cn[nH]c1
InChIInChI=1S/C3H3FN2O2S/c4-9(7,8)3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyPDRUTSVTMRVVIC-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.07
Rot. Bonds1

About 1H-pyrazole-4-sulfonyl fluoride

1H-pyrazole-4-sulfonyl fluoride (PubChem CID 122236175) has the molecular formula C3H3FN2O2S and a molecular weight of 150.13 g/mol. Its IUPAC name is 1H-pyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name1H-pyrazole-4-sulfonyl fluoride
PubChem CID122236175
Molecular FormulaC3H3FN2O2S
Molecular Weight150.13 g/mol
Exact Mass149.99
IUPAC Name1H-pyrazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1cn[nH]c1
InChIInChI=1S/C3H3FN2O2S/c4-9(7,8)3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyPDRUTSVTMRVVIC-UHFFFAOYSA-N
XLogP0.07
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4-sulfonyl fluoride?
The IUPAC name of 1H-pyrazole-4-sulfonyl fluoride (CID 122236175) is 1H-pyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 1H-pyrazole-4-sulfonyl fluoride?
The canonical SMILES for 1H-pyrazole-4-sulfonyl fluoride is O=S(=O)(F)c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole-4-sulfonyl fluoride?
The InChIKey is PDRUTSVTMRVVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2O2S/c4-9(7,8)3-1-5-6-2-3/h1-2H,(H,5,6).
What are the key properties of 1H-pyrazole-4-sulfonyl fluoride?
1H-pyrazole-4-sulfonyl fluoride has a molecular weight of 150.13 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 122236175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).