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

C17H19FN2O2S — CID 852183

IUPAC1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-16-7-4-8-17(13-16)23(21,22)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyGPUVVUGNLBLLCH-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.33
Rot. Bonds4

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

1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 852183) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID852183
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-16-7-4-8-17(13-16)23(21,22)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyGPUVVUGNLBLLCH-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine (CID 852183) is 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is GPUVVUGNLBLLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-16-7-4-8-17(13-16)23(21,22)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine?
1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine has a molecular weight of 334.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 852183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).