1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium

C17H20FN2O2S+ — CID 4739020

IUPAC1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1
InChIKeyZELPCLANZBCFKR-UHFFFAOYSA-O
MW335.42 g/mol
LogP0.92
Rot. Bonds4

About 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium

1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium (PubChem CID 4739020) has the molecular formula C17H20FN2O2S+ and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
PubChem CID4739020
Molecular FormulaC17H20FN2O2S+
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1
InChIKeyZELPCLANZBCFKR-UHFFFAOYSA-O
XLogP0.92
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 6981216
1-(benzenesulfonyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium
CID 4743473
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
CID 2168992
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol
CID 7112025
methyl 2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate
CID 2193886
(3R)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186076
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 7344892
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154799
1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyltetrazol-5-one
CID 9235038
methyl 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 8743531

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium (CID 4739020) is 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium is O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
The InChIKey is ZELPCLANZBCFKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19FN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2/p+1.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium?
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium has a molecular weight of 335.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 4739020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).