1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium

C17H19Cl2N2O2S+ — CID 9391389

IUPAC1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)24(22,23)17-8-4-3-7-16(17)19/h1-8H,9-13H2/p+1
InChIKeyGHTUXCJMJQQZQN-UHFFFAOYSA-O
MW386.32 g/mol
LogP2.08
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium

1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium (PubChem CID 9391389) has the molecular formula C17H19Cl2N2O2S+ and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium
PubChem CID9391389
Molecular FormulaC17H19Cl2N2O2S+
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)24(22,23)17-8-4-3-7-16(17)19/h1-8H,9-13H2/p+1
InChIKeyGHTUXCJMJQQZQN-UHFFFAOYSA-O
XLogP2.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)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-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 6981216
1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium
CID 9301474
1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 6943021
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8693910
1-[(2-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium
CID 7028127
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone
CID 4745609
1-(2-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium
CID 8693896
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
1-[(2-chlorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium
CID 6937348
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9391491
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile
CID 8771546

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium (CID 9391389) is 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium is O=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium?
The InChIKey is GHTUXCJMJQQZQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)24(22,23)17-8-4-3-7-16(17)19/h1-8H,9-13H2/p+1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium?
1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium has a molecular weight of 386.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 9391389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).