1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine

C17H19FN2O4S2 — CID 2995650

IUPAC1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C17H19FN2O4S2/c1-25(21,22)16-3-2-4-17(13-16)26(23,24)20-11-9-19(10-12-20)15-7-5-14(18)6-8-15/h2-8,13H,9-12H2,1H3
InChIKeyGJXZOLWQFUFEFK-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.74
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine

1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine (PubChem CID 2995650) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
PubChem CID2995650
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C17H19FN2O4S2/c1-25(21,22)16-3-2-4-17(13-16)26(23,24)20-11-9-19(10-12-20)15-7-5-14(18)6-8-15/h2-8,13H,9-12H2,1H3
InChIKeyGJXZOLWQFUFEFK-UHFFFAOYSA-N
XLogP1.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000094
N-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 51156302
[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 78773750
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
propyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 27000036
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772
1-methyl-4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 55621350
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine (CID 2995650) is 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine is CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine?
The InChIKey is GJXZOLWQFUFEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-25(21,22)16-3-2-4-17(13-16)26(23,24)20-11-9-19(10-12-20)15-7-5-14(18)6-8-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine?
1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine has a molecular weight of 398.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2995650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).