3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride

C8H11ClN2O2S — CID 138039643

IUPAC3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(C2CC2)n1
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-5-7(14(9,12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyQTCFOTKUIREOHS-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.71
Rot. Bonds3

About 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride

3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride (PubChem CID 138039643) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride
PubChem CID138039643
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)c(C2CC2)n1
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-5-7(14(9,12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyQTCFOTKUIREOHS-UHFFFAOYSA-N
XLogP1.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride (CID 138039643) is 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride?
The InChIKey is QTCFOTKUIREOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-2-11-5-7(14(9,12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride?
3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride has a molecular weight of 234.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 138039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).