4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine

C13H19FN2O2S — CID 63634158

IUPAC4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2F)CC1(C)C
InChIInChI=1S/C13H19FN2O2S/c1-13(2)10-16(9-8-15(13)3)19(17,18)12-7-5-4-6-11(12)14/h4-7H,8-10H2,1-3H3
InChIKeyAEXIHMSXYOPKLT-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds2

About 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine

4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine (PubChem CID 63634158) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine
PubChem CID63634158
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2F)CC1(C)C
InChIInChI=1S/C13H19FN2O2S/c1-13(2)10-16(9-8-15(13)3)19(17,18)12-7-5-4-6-11(12)14/h4-7H,8-10H2,1-3H3
InChIKeyAEXIHMSXYOPKLT-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine 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 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine (CID 63634158) is 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine is CN1CCN(S(=O)(=O)c2ccccc2F)CC1(C)C.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine?
The InChIKey is AEXIHMSXYOPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(2)10-16(9-8-15(13)3)19(17,18)12-7-5-4-6-11(12)14/h4-7H,8-10H2,1-3H3.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine?
4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine has a molecular weight of 286.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine is sourced from PubChem (CID 63634158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).