1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride

C18H23ClN2O2S — CID 18532110

IUPAC1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
SMILESCc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1.[Cl-]
InChIInChI=1S/C18H22N2O2S.ClH/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17;/h2-10H,11-15H2,1H3;1H
InChIKeyGLYGIOZICUMLHT-UHFFFAOYSA-N
MW366.91 g/mol
LogP-1.91
Rot. Bonds4

About 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride

1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride (PubChem CID 18532110) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride.

Molecular Properties

Compound Name1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
PubChem CID18532110
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
SMILESCc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1.[Cl-]
InChIInChI=1S/C18H22N2O2S.ClH/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17;/h2-10H,11-15H2,1H3;1H
InChIKeyGLYGIOZICUMLHT-UHFFFAOYSA-N
XLogP-1.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium
CID 8744789
1-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
CID 4755596
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 4739020
1-(benzenesulfonyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium
CID 4743473
1-(3-bromophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium
CID 9025393
1-(4-chlorophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 4755642
methyl 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
CID 8742829
1-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazin-1-ium
CID 2168992
methyl 2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate
CID 2193886
1-benzyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazin-1-ium
CID 6980440
2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135849148
methyl 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 8743531

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride?
The IUPAC name of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride (CID 18532110) is 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride.
What is the SMILES notation for 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride?
The canonical SMILES for 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride is Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1.[Cl-].
What is the InChIKey of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride?
The InChIKey is GLYGIOZICUMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-16-7-9-18(10-8-16)23(21,22)20-13-11-19(12-14-20)15-17-5-3-2-4-6-17;/h2-10H,11-15H2,1H3;1H.
What are the key properties of 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride?
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride has a molecular weight of 366.91 g/mol, XLogP of -1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride is sourced from PubChem (CID 18532110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).