1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

C18H21F2N2O3S+ — CID 7223673

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
SMILESO=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C18H20F2N2O3S/c19-15-6-7-18(17(20)14-15)26(23,24)22-10-8-21(9-11-22)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2/p+1
InChIKeySSTGFISRQDCSQV-UHFFFAOYSA-O
MW383.44 g/mol
LogP0.93
Rot. Bonds6

About 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium (PubChem CID 7223673) has the molecular formula C18H21F2N2O3S+ and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
PubChem CID7223673
Molecular FormulaC18H21F2N2O3S+
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
SMILESO=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C18H20F2N2O3S/c19-15-6-7-18(17(20)14-15)26(23,24)22-10-8-21(9-11-22)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2/p+1
InChIKeySSTGFISRQDCSQV-UHFFFAOYSA-O
XLogP0.93
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-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-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CID 8966240
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(2-phenoxyethyl)piperazin-4-ium
CID 9257795
1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
CID 8746986
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile
CID 8771546
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
CID 9435660
1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
CID 8771570
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-[2-(4-fluorophenyl)sulfanylethyl]-4-(2-fluorophenyl)sulfonylpiperazin-1-ium
CID 8553947
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982
1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
CID 8748510

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium (CID 7223673) is 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium is O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium?
The InChIKey is SSTGFISRQDCSQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20F2N2O3S/c19-15-6-7-18(17(20)14-15)26(23,24)22-10-8-21(9-11-22)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2/p+1.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium?
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium has a molecular weight of 383.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium is sourced from PubChem (CID 7223673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).