1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium

C18H21F2N2O2S2+ — CID 8553947

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccccc1F)N1CC[NH+](CCSc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20F2N2O2S2/c19-15-5-7-16(8-6-15)25-14-13-21-9-11-22(12-10-21)26(23,24)18-4-2-1-3-17(18)20/h1-8H,9-14H2/p+1
InChIKeyRHAUBKYYJUXLKU-UHFFFAOYSA-O
MW399.51 g/mol
LogP1.65
Rot. Bonds6

About 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium

1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium (PubChem CID 8553947) has the molecular formula C18H21F2N2O2S2+ and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium
PubChem CID8553947
Molecular FormulaC18H21F2N2O2S2+
Molecular Weight399.51 g/mol
Exact Mass399.10
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccccc1F)N1CC[NH+](CCSc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20F2N2O2S2/c19-15-5-7-16(8-6-15)25-14-13-21-9-11-22(12-10-21)26(23,24)18-4-2-1-3-17(18)20/h1-8H,9-14H2/p+1
InChIKeyRHAUBKYYJUXLKU-UHFFFAOYSA-O
XLogP1.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
CID 8749090
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
1-[2-(2-fluorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 8553395
1-(azepan-1-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8749372
2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4816176
2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol
CID 2442648
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 26756892
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8749217
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9347417
N-benzyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
CID 2471437
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide
CID 8690303
1-(2-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8749202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium (CID 8553947) is 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium is O=S(=O)(c1ccccc1F)N1CC[NH+](CCSc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium?
The InChIKey is RHAUBKYYJUXLKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20F2N2O2S2/c19-15-5-7-16(8-6-15)25-14-13-21-9-11-22(12-10-21)26(23,24)18-4-2-1-3-17(18)20/h1-8H,9-14H2/p+1.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium?
1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium has a molecular weight of 399.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 8553947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).