1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium

C17H20ClN2O3S+ — CID 4059396

IUPAC1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-23-14-6-8-15(9-7-14)24(21,22)20-12-10-19(11-13-20)17-5-3-2-4-16(17)18/h2-9H,10-13H2,1H3/p+1
InChIKeyRLVZCPHLCHXZNE-UHFFFAOYSA-O
MW367.88 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium

1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium (PubChem CID 4059396) has the molecular formula C17H20ClN2O3S+ and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
PubChem CID4059396
Molecular FormulaC17H20ClN2O3S+
Molecular Weight367.88 g/mol
Exact Mass367.09
IUPAC Name1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
SMILESCOc1ccc(S(=O)(=O)N2CC[NH+](c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-23-14-6-8-15(9-7-14)24(21,22)20-12-10-19(11-13-20)17-5-3-2-4-16(17)18/h2-9H,10-13H2,1H3/p+1
InChIKeyRLVZCPHLCHXZNE-UHFFFAOYSA-O
XLogP1.57
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium
CID 3390322
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]phenol
CID 4298033
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium
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1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4755340
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
CID 4751871
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium (CID 4059396) is 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium is COc1ccc(S(=O)(=O)N2CC[NH+](c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
The InChIKey is RLVZCPHLCHXZNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19ClN2O3S/c1-23-14-6-8-15(9-7-14)24(21,22)20-12-10-19(11-13-20)17-5-3-2-4-16(17)18/h2-9H,10-13H2,1H3/p+1.
What are the key properties of 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium?
1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium has a molecular weight of 367.88 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 4059396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).