1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine

C16H17FN2O2S — CID 779709

IUPAC1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2S/c17-14-6-8-15(9-7-14)18-10-12-19(13-11-18)22(20,21)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyJPHOHQHMIAHZIQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.34
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine

1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine (PubChem CID 779709) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
PubChem CID779709
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2S/c17-14-6-8-15(9-7-14)18-10-12-19(13-11-18)22(20,21)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyJPHOHQHMIAHZIQ-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1068502
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
(4-fluorophenyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 18230397
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine (CID 779709) is 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine is O=S(=O)(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine?
The InChIKey is JPHOHQHMIAHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-14-6-8-15(9-7-14)18-10-12-19(13-11-18)22(20,21)16-4-2-1-3-5-16/h1-9H,10-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine?
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine has a molecular weight of 320.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 779709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).