4-fluoro-1-methylpyrazole-3-sulfonyl chloride

C4H4ClFN2O2S — CID 167320881

IUPAC4-fluoro-1-methylpyrazole-3-sulfonyl chloride
SMILESCn1cc(F)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C4H4ClFN2O2S/c1-8-2-3(6)4(7-8)11(5,9)10/h2H,1H3
InChIKeyBFCRBRYMBBREGV-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.49
Rot. Bonds1

About 4-fluoro-1-methylpyrazole-3-sulfonyl chloride

4-fluoro-1-methylpyrazole-3-sulfonyl chloride (PubChem CID 167320881) has the molecular formula C4H4ClFN2O2S and a molecular weight of 198.61 g/mol. Its IUPAC name is 4-fluoro-1-methylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-1-methylpyrazole-3-sulfonyl chloride
PubChem CID167320881
Molecular FormulaC4H4ClFN2O2S
Molecular Weight198.61 g/mol
Exact Mass197.97
IUPAC Name4-fluoro-1-methylpyrazole-3-sulfonyl chloride
SMILESCn1cc(F)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C4H4ClFN2O2S/c1-8-2-3(6)4(7-8)11(5,9)10/h2H,1H3
InChIKeyBFCRBRYMBBREGV-UHFFFAOYSA-N
XLogP0.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpyrazole-3-sulfonyl chloride?
The IUPAC name of 4-fluoro-1-methylpyrazole-3-sulfonyl chloride (CID 167320881) is 4-fluoro-1-methylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-1-methylpyrazole-3-sulfonyl chloride?
The canonical SMILES for 4-fluoro-1-methylpyrazole-3-sulfonyl chloride is Cn1cc(F)c(S(=O)(=O)Cl)n1.
What is the InChIKey of 4-fluoro-1-methylpyrazole-3-sulfonyl chloride?
The InChIKey is BFCRBRYMBBREGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN2O2S/c1-8-2-3(6)4(7-8)11(5,9)10/h2H,1H3.
What are the key properties of 4-fluoro-1-methylpyrazole-3-sulfonyl chloride?
4-fluoro-1-methylpyrazole-3-sulfonyl chloride has a molecular weight of 198.61 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 167320881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).