1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride

C8H11ClF2N2O3S — CID 122170379

IUPAC1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCCOCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H11ClF2N2O3S/c1-2-16-5-6-7(17(9,14)15)3-13(12-6)4-8(10)11/h3,8H,2,4-5H2,1H3
InChIKeyLLHVNCCQHIMMBU-UHFFFAOYSA-N
MW288.70 g/mol
LogP1.61
Rot. Bonds6

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

1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170379) has the molecular formula C8H11ClF2N2O3S and a molecular weight of 288.70 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122170379
Molecular FormulaC8H11ClF2N2O3S
Molecular Weight288.70 g/mol
Exact Mass288.01
IUPAC Name1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCCOCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H11ClF2N2O3S/c1-2-16-5-6-7(17(9,14)15)3-13(12-6)4-8(10)11/h3,8H,2,4-5H2,1H3
InChIKeyLLHVNCCQHIMMBU-UHFFFAOYSA-N
XLogP1.61
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride (CID 122170379) is 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride is CCOCc1nn(CC(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is LLHVNCCQHIMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2O3S/c1-2-16-5-6-7(17(9,14)15)3-13(12-6)4-8(10)11/h3,8H,2,4-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 288.70 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).