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

C17H19Cl2N2O2S+ — CID 2168992

IUPAC1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-3-1-14(2-4-15)13-20-9-11-21(12-10-20)24(22,23)17-7-5-16(19)6-8-17/h1-8H,9-13H2/p+1
InChIKeyMHAINPCVYYTLFA-UHFFFAOYSA-O
MW386.32 g/mol
LogP2.08
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium (PubChem CID 2168992) has the molecular formula C17H19Cl2N2O2S+ and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
PubChem CID2168992
Molecular FormulaC17H19Cl2N2O2S+
Molecular Weight386.32 g/mol
Exact Mass385.05
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-3-1-14(2-4-15)13-20-9-11-21(12-10-20)24(22,23)17-7-5-16(19)6-8-17/h1-8H,9-13H2/p+1
InChIKeyMHAINPCVYYTLFA-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

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 4755596
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
CID 3447627
1-(4-chlorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 4755642
1-(4-chlorophenyl)sulfonyl-4-[(2,6-difluorophenyl)methyl]piperazin-4-ium
CID 5056582
1-(4-bromophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium
CID 8744789
(3S)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9188882
1-(benzenesulfonyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium
CID 4743473
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 4739020
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
methyl 3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
CID 8743933
1-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone
CID 9337874
1-(4-methoxyphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium
CID 4748185

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium (CID 2168992) is 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium is O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium?
The InChIKey is MHAINPCVYYTLFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-15-3-1-14(2-4-15)13-20-9-11-21(12-10-20)24(22,23)17-7-5-16(19)6-8-17/h1-8H,9-13H2/p+1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium?
1-[(4-chlorophenyl)methyl]-4-(4-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-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 2168992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).