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

C17H19FN2O2S — CID 563073

IUPAC1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(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
InChIKeyZELPCLANZBCFKR-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.33
Rot. Bonds4

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

1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 563073) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID563073
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(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
InChIKeyZELPCLANZBCFKR-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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Related Compounds

1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 126477381
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-(4-fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770625
1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
4-[(4-benzyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid
CID 120613639
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine (CID 563073) is 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is ZELPCLANZBCFKR-UHFFFAOYSA-N. 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.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine?
1-benzyl-4-(4-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-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 563073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).