1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

C7H9ClF2N2O2S — CID 19622859

IUPAC1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC(F)F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O2S/c1-4-7(15(8,13)14)5(2)12(11-4)3-6(9)10/h6H,3H2,1-2H3
InChIKeyVMAOVLJJGFIXBB-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.69
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 19622859) has the molecular formula C7H9ClF2N2O2S and a molecular weight of 258.68 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID19622859
Molecular FormulaC7H9ClF2N2O2S
Molecular Weight258.68 g/mol
Exact Mass258.00
IUPAC Name1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC(F)F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O2S/c1-4-7(15(8,13)14)5(2)12(11-4)3-6(9)10/h6H,3H2,1-2H3
InChIKeyVMAOVLJJGFIXBB-UHFFFAOYSA-N
XLogP1.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-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

Related Compounds

1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
1,3,5-Trimethyl-1H-pyrazole-4-sulfonic acid
CID 3102534
1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485421
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 18981663
1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 43531775
3-(chloromethyl)-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 12263077
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622858
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
3,5-dimethyl-1-octyl-1H-pyrazole-4-sulfonyl chloride
CID 60912114

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 19622859) is 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is Cc1nn(CC(F)F)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is VMAOVLJJGFIXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O2S/c1-4-7(15(8,13)14)5(2)12(11-4)3-6(9)10/h6H,3H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 258.68 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 19622859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).