1-ethylpyrazole-4-sulfonyl chloride

C5H7ClN2O2S — CID 6485337

IUPAC1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C5H7ClN2O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3
InChIKeyGCPANMWERFHRFN-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.83
Rot. Bonds2

About 1-ethylpyrazole-4-sulfonyl chloride

1-ethylpyrazole-4-sulfonyl chloride (PubChem CID 6485337) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 1-ethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-ethylpyrazole-4-sulfonyl chloride
PubChem CID6485337
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C5H7ClN2O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3
InChIKeyGCPANMWERFHRFN-UHFFFAOYSA-N
XLogP0.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-ethylpyrazole-4-sulfonyl chloride (CID 6485337) is 1-ethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-ethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-ethylpyrazole-4-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-ethylpyrazole-4-sulfonyl chloride?
The InChIKey is GCPANMWERFHRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S/c1-2-8-4-5(3-7-8)11(6,9)10/h3-4H,2H2,1H3.
What are the key properties of 1-ethylpyrazole-4-sulfonyl chloride?
1-ethylpyrazole-4-sulfonyl chloride has a molecular weight of 194.64 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 6485337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).