4-chloro-1-ethylpyrazole-5-sulfonyl fluoride

C5H6ClFN2O2S — CID 165453367

IUPAC4-chloro-1-ethylpyrazole-5-sulfonyl fluoride
SMILESCCn1ncc(Cl)c1S(=O)(=O)F
InChIInChI=1S/C5H6ClFN2O2S/c1-2-9-5(12(7,10)11)4(6)3-8-9/h3H,2H2,1H3
InChIKeyZIBBGIODQLEREY-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.21
Rot. Bonds2

About 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride

4-chloro-1-ethylpyrazole-5-sulfonyl fluoride (PubChem CID 165453367) has the molecular formula C5H6ClFN2O2S and a molecular weight of 212.63 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazole-5-sulfonyl fluoride
PubChem CID165453367
Molecular FormulaC5H6ClFN2O2S
Molecular Weight212.63 g/mol
Exact Mass211.98
IUPAC Name4-chloro-1-ethylpyrazole-5-sulfonyl fluoride
SMILESCCn1ncc(Cl)c1S(=O)(=O)F
InChIInChI=1S/C5H6ClFN2O2S/c1-2-9-5(12(7,10)11)4(6)3-8-9/h3H,2H2,1H3
InChIKeyZIBBGIODQLEREY-UHFFFAOYSA-N
XLogP1.21
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride?
The IUPAC name of 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride (CID 165453367) is 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride.
What is the SMILES notation for 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride?
The canonical SMILES for 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride is CCn1ncc(Cl)c1S(=O)(=O)F.
What is the InChIKey of 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride?
The InChIKey is ZIBBGIODQLEREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2O2S/c1-2-9-5(12(7,10)11)4(6)3-8-9/h3H,2H2,1H3.
What are the key properties of 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride?
4-chloro-1-ethylpyrazole-5-sulfonyl fluoride has a molecular weight of 212.63 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazole-5-sulfonyl fluoride is sourced from PubChem (CID 165453367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).