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

C7H9ClF2N2O3S — CID 122170366

IUPAC1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O3S/c1-15-4-5-6(16(8,13)14)2-12(11-5)3-7(9)10/h2,7H,3-4H2,1H3
InChIKeyXVRTYMXUGLGPLX-UHFFFAOYSA-N
MW274.68 g/mol
LogP1.22
Rot. Bonds5

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

1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170366) has the molecular formula C7H9ClF2N2O3S and a molecular weight of 274.68 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122170366
Molecular FormulaC7H9ClF2N2O3S
Molecular Weight274.68 g/mol
Exact Mass274.00
IUPAC Name1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(CC(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O3S/c1-15-4-5-6(16(8,13)14)2-12(11-5)3-7(9)10/h2,7H,3-4H2,1H3
InChIKeyXVRTYMXUGLGPLX-UHFFFAOYSA-N
XLogP1.22
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-3-(methoxymethyl)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-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (CID 122170366) is 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is COCc1nn(CC(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is XVRTYMXUGLGPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O3S/c1-15-4-5-6(16(8,13)14)2-12(11-5)3-7(9)10/h2,7H,3-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 274.68 g/mol, XLogP of 1.22, 5 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-(methoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).