5-fluoro-1H-pyrazole-4-sulfonyl chloride

C3H2ClFN2O2S — CID 115016809

IUPAC5-fluoro-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1F
InChIInChI=1S/C3H2ClFN2O2S/c4-10(8,9)2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyYGGUOKGHDXCWLW-UHFFFAOYSA-N
MW184.58 g/mol
LogP0.48
Rot. Bonds1

About 5-fluoro-1H-pyrazole-4-sulfonyl chloride

5-fluoro-1H-pyrazole-4-sulfonyl chloride (PubChem CID 115016809) has the molecular formula C3H2ClFN2O2S and a molecular weight of 184.58 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1H-pyrazole-4-sulfonyl chloride
PubChem CID115016809
Molecular FormulaC3H2ClFN2O2S
Molecular Weight184.58 g/mol
Exact Mass183.95
IUPAC Name5-fluoro-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1F
InChIInChI=1S/C3H2ClFN2O2S/c4-10(8,9)2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyYGGUOKGHDXCWLW-UHFFFAOYSA-N
XLogP0.48
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-fluoro-1H-pyrazole-4-sulfonyl chloride (CID 115016809) is 5-fluoro-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1H-pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn[nH]c1F.
What is the InChIKey of 5-fluoro-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is YGGUOKGHDXCWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClFN2O2S/c4-10(8,9)2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 5-fluoro-1H-pyrazole-4-sulfonyl chloride?
5-fluoro-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 184.58 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 115016809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).