3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride

C8H12ClFN2O3S — CID 122170374

IUPAC3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride
SMILESCCOCc1nn(CCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H12ClFN2O3S/c1-2-15-6-7-8(16(9,13)14)5-12(11-7)4-3-10/h5H,2-4,6H2,1H3
InChIKeyWADYPEHYOIFPIL-UHFFFAOYSA-N
MW270.71 g/mol
LogP1.32
Rot. Bonds6

About 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride

3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170374) has the molecular formula C8H12ClFN2O3S and a molecular weight of 270.71 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride
PubChem CID122170374
Molecular FormulaC8H12ClFN2O3S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC Name3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride
SMILESCCOCc1nn(CCF)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H12ClFN2O3S/c1-2-15-6-7-8(16(9,13)14)5-12(11-7)4-3-10/h5H,2-4,6H2,1H3
InChIKeyWADYPEHYOIFPIL-UHFFFAOYSA-N
XLogP1.32
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride (CID 122170374) is 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride is CCOCc1nn(CCF)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is WADYPEHYOIFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN2O3S/c1-2-15-6-7-8(16(9,13)14)5-12(11-7)4-3-10/h5H,2-4,6H2,1H3.
What are the key properties of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride?
3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 270.71 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).