1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine

C17H19FN2O2S2 — CID 3756255

IUPAC1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
SMILESCSc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN2O2S2/c1-23-17-5-3-2-4-16(17)19-10-12-20(13-11-19)24(21,22)15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3
InChIKeyHJIMSTBUALEEKZ-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine

1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine (PubChem CID 3756255) has the molecular formula C17H19FN2O2S2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
PubChem CID3756255
Molecular FormulaC17H19FN2O2S2
Molecular Weight366.48 g/mol
Exact Mass366.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
SMILESCSc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN2O2S2/c1-23-17-5-3-2-4-16(17)19-10-12-20(13-11-19)24(21,22)15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3
InChIKeyHJIMSTBUALEEKZ-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 4996297
1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
CID 3824582
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(2-methylsulfanylphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 3482841
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 9025126
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
CID 113076137

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine (CID 3756255) is 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine is CSc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine?
The InChIKey is HJIMSTBUALEEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S2/c1-23-17-5-3-2-4-16(17)19-10-12-20(13-11-19)24(21,22)15-8-6-14(18)7-9-15/h2-9H,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine?
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine has a molecular weight of 366.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine is sourced from PubChem (CID 3756255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).