1-(4-fluorophenyl)-4-methylsulfonylpiperazine

C11H15FN2O2S — CID 669039

IUPAC1-(4-fluorophenyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyCZUGGAGWAUSXMD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.91
Rot. Bonds2

About 1-(4-fluorophenyl)-4-methylsulfonylpiperazine

1-(4-fluorophenyl)-4-methylsulfonylpiperazine (PubChem CID 669039) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methylsulfonylpiperazine
PubChem CID669039
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name1-(4-fluorophenyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H15FN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyCZUGGAGWAUSXMD-UHFFFAOYSA-N
XLogP0.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4-methylsulfonylpiperazine 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

Dimethylphenylpiperazinium
CID 1316
1-Phenyl-4-propylpiperazine
CID 422923
Thiomorpholine, 4-phenyl-, 1,1-dioxide
CID 87241
Piperazine, 1-methyl-4-phenyl-
CID 200991
N-methyl-N-phenylmethanesulfonamide
CID 733944
1-(2,3,4,5,6-Pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
N,N-dimethyl-4-phenylpiperazine-1-sulfonamide
CID 669784
Sodium(methyl(phenyl)amino)methanesulfonate
CID 23665438
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
1-(Ethylsulfonyl)-4-phenylpiperazine
CID 230726
1-(2-Fluorophenyl)-4-(methylsulfonyl)piperazine
CID 831830
1-(2-Fluorophenyl)-4-(propylsulfonyl)piperazine
CID 2947309

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-methylsulfonylpiperazine (CID 669039) is 1-(4-fluorophenyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methylsulfonylpiperazine?
The InChIKey is CZUGGAGWAUSXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methylsulfonylpiperazine?
1-(4-fluorophenyl)-4-methylsulfonylpiperazine has a molecular weight of 258.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 669039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).