1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium

C20H25N2O3S+ — CID 4751871

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-25-19-9-11-20(12-10-19)26(23,24)22-16-14-21(15-17-22)13-5-8-18-6-3-2-4-7-18/h2-12H,13-17H2,1H3/p+1
InChIKeySEUCUYPQXKDFFJ-UHFFFAOYSA-O
MW373.50 g/mol
LogP1.30
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium

1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium (PubChem CID 4751871) has the molecular formula C20H25N2O3S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
PubChem CID4751871
Molecular FormulaC20H25N2O3S+
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-25-19-9-11-20(12-10-19)26(23,24)22-16-14-21(15-17-22)13-5-8-18-6-3-2-4-7-18/h2-12H,13-17H2,1H3/p+1
InChIKeySEUCUYPQXKDFFJ-UHFFFAOYSA-O
XLogP1.30
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 7377573
1-(3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 8744944
4-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzoate
CID 8831411
1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium
CID 9036549
1-[(E)-3-phenylprop-2-enyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium
CID 9310868
1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4755340
1-(2,5-dichlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 6200212
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
1-[(2-ethoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4756058
1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4059396
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium (CID 4751871) is 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium is COc1ccc(S(=O)(=O)N2CC[NH+](CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium?
The InChIKey is SEUCUYPQXKDFFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O3S/c1-25-19-9-11-20(12-10-19)26(23,24)22-16-14-21(15-17-22)13-5-8-18-6-3-2-4-7-18/h2-12H,13-17H2,1H3/p+1.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium?
1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium has a molecular weight of 373.50 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium is sourced from PubChem (CID 4751871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).