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

C19H25N2O4S+ — CID 4755340

IUPAC1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-24-17-7-9-18(10-8-17)26(22,23)21-13-11-20(12-14-21)15-16-5-3-4-6-19(16)25-2/h3-10H,11-15H2,1-2H3/p+1
InChIKeyIJNBPKQLGNQUPI-UHFFFAOYSA-O
MW377.49 g/mol
LogP0.79
Rot. Bonds6

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

1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium (PubChem CID 4755340) has the molecular formula C19H25N2O4S+ and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
PubChem CID4755340
Molecular FormulaC19H25N2O4S+
Molecular Weight377.49 g/mol
Exact Mass377.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-24-17-7-9-18(10-8-17)26(22,23)21-13-11-20(12-14-21)15-16-5-3-4-6-19(16)25-2/h3-10H,11-15H2,1-2H3/p+1
InChIKeyIJNBPKQLGNQUPI-UHFFFAOYSA-O
XLogP0.79
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4756058
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4756057
1-(4-methoxyphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium
CID 4748185
1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium
CID 9036549
1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
CID 4751871
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 6981216
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3480604
1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4059396
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol
CID 7112025
1-(4-methoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazine
CID 1122437
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium (CID 4755340) is 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium is COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
The InChIKey is IJNBPKQLGNQUPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O4S/c1-24-17-7-9-18(10-8-17)26(22,23)21-13-11-20(12-14-21)15-16-5-3-4-6-19(16)25-2/h3-10H,11-15H2,1-2H3/p+1.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium has a molecular weight of 377.49 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 4755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).