1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine

C13H19ClN2O4S2 — CID 167780338

IUPAC1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O4S2/c1-21(17,18)11-10-15-6-8-16(9-7-15)22(19,20)13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKeyKBMZZPQDSZOGSH-UHFFFAOYSA-N
MW366.89 g/mol
LogP0.69
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine (PubChem CID 167780338) has the molecular formula C13H19ClN2O4S2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
PubChem CID167780338
Molecular FormulaC13H19ClN2O4S2
Molecular Weight366.89 g/mol
Exact Mass366.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O4S2/c1-21(17,18)11-10-15-6-8-16(9-7-15)22(19,20)13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKeyKBMZZPQDSZOGSH-UHFFFAOYSA-N
XLogP0.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 78787612
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
1-(4-chlorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 110799587
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
1-[1-(4-chlorophenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 71991602
1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 1122511
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 78787610
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 9301421

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine (CID 167780338) is 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is KBMZZPQDSZOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S2/c1-21(17,18)11-10-15-6-8-16(9-7-15)22(19,20)13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 366.89 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 167780338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).