1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine

C12H17ClN2O2S — CID 900483

IUPAC1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-10-3-4-11(13)9-12(10)14-5-7-15(8-6-14)18(2,16)17/h3-4,9H,5-8H2,1-2H3
InChIKeyGKJSEQLYEXRVOH-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.73
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine

1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine (PubChem CID 900483) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
PubChem CID900483
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-10-3-4-11(13)9-12(10)14-5-7-15(8-6-14)18(2,16)17/h3-4,9H,5-8H2,1-2H3
InChIKeyGKJSEQLYEXRVOH-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
7-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium
CID 6934369
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
CID 8591101
1-(4-chloro-2-nitrophenyl)-4-methylsulfonyl-1,4-diazepane
CID 134038762
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
4-(5-chloro-2-methylphenyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111264270
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine (CID 900483) is 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine is Cc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine?
The InChIKey is GKJSEQLYEXRVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-10-3-4-11(13)9-12(10)14-5-7-15(8-6-14)18(2,16)17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine?
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine has a molecular weight of 288.80 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 900483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).