4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride

C6H11ClF2N2O2S — CID 138040366

IUPAC4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCN(CC(F)F)CC1
InChIInChI=1S/C6H11ClF2N2O2S/c7-14(12,13)11-3-1-10(2-4-11)5-6(8)9/h6H,1-5H2
InChIKeyAYEOYAZQYFBPEX-UHFFFAOYSA-N
MW248.68 g/mol
LogP0.35
Rot. Bonds3

About 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride

4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride (PubChem CID 138040366) has the molecular formula C6H11ClF2N2O2S and a molecular weight of 248.68 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride
PubChem CID138040366
Molecular FormulaC6H11ClF2N2O2S
Molecular Weight248.68 g/mol
Exact Mass248.02
IUPAC Name4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCN(CC(F)F)CC1
InChIInChI=1S/C6H11ClF2N2O2S/c7-14(12,13)11-3-1-10(2-4-11)5-6(8)9/h6H,1-5H2
InChIKeyAYEOYAZQYFBPEX-UHFFFAOYSA-N
XLogP0.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethyl)piperazine-1-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

4-methylpiperazine-1-sulfonyl Chloride
CID 11171617
1-Methyl-4-(trifluoromethylsulfonyl)piperazine
CID 57970215
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfonylchloride
CID 121600089
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfonic acid
CID 68565231
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfinate
CID 89881760
4-(3,3,3-Trifluoropropyl)piperazine-1-sulfonamide
CID 168812873
4-(2,2-difluoroethyl)-N,N-diethylpiperazine-1-sulfonamide
CID 53563285
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazine
CID 57868222
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfinic acid
CID 89881761
4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114807160
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfonamide
CID 121599711
4-(2-Fluoroethyl)piperazine-1-sulfonamide
CID 131036048

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride?
The IUPAC name of 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride (CID 138040366) is 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride.
What is the SMILES notation for 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride?
The canonical SMILES for 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCN(CC(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride?
The InChIKey is AYEOYAZQYFBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF2N2O2S/c7-14(12,13)11-3-1-10(2-4-11)5-6(8)9/h6H,1-5H2.
What are the key properties of 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride?
4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride has a molecular weight of 248.68 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)piperazine-1-sulfonyl chloride is sourced from PubChem (CID 138040366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).