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

C16H16ClFN2O2S — CID 1068546

IUPAC1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H16ClFN2O2S/c17-13-2-1-3-15(12-13)19-8-10-20(11-9-19)23(21,22)16-6-4-14(18)5-7-16/h1-7,12H,8-11H2
InChIKeyTUQPROCBKUHJGY-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.99
Rot. Bonds3

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

1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 1068546) has the molecular formula C16H16ClFN2O2S and a molecular weight of 354.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID1068546
Molecular FormulaC16H16ClFN2O2S
Molecular Weight354.83 g/mol
Exact Mass354.06
IUPAC Name1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H16ClFN2O2S/c17-13-2-1-3-15(12-13)19-8-10-20(11-9-19)23(21,22)16-6-4-14(18)5-7-16/h1-7,12H,8-11H2
InChIKeyTUQPROCBKUHJGY-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 2967478
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(3,5-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 26544769
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine (CID 1068546) is 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is TUQPROCBKUHJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2S/c17-13-2-1-3-15(12-13)19-8-10-20(11-9-19)23(21,22)16-6-4-14(18)5-7-16/h1-7,12H,8-11H2.
What are the key properties of 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 354.83 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).