1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine

C13H19ClN2O2S — CID 110707864

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-11-9-15(2)7-8-16(11)19(17,18)10-12-3-5-13(14)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyHXMWWELUYQHLOA-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.81
Rot. Bonds3

About 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine

1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine (PubChem CID 110707864) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
PubChem CID110707864
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-11-9-15(2)7-8-16(11)19(17,18)10-12-3-5-13(14)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyHXMWWELUYQHLOA-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(4-chlorophenyl)methylsulfonyl]-3-methylpiperazine-1-carboxylate
CID 71635039
3-[(4-chlorophenyl)methylsulfonyl]-2-methyl-1,3-oxazolidine
CID 110740261
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
(3S)-4-benzylsulfonyl-3-methylpiperazine-1-carboxylic acid
CID 67131918
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
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1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
1-[2-(chloromethyl)phenyl]sulfonyl-2,4-dimethylpiperazine
CID 114088037
4-[(4-benzylsulfonyl-3-methylpiperazin-1-yl)methyl]benzonitrile
CID 102562213
2-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 20718917
(2S)-4-[(3-chlorophenyl)methyl]-2-methyl-1-[(3-methylphenyl)methylsulfonyl]piperazine
CID 141177938
1-[(4-chlorophenyl)methylsulfonyl]-3-methyl-2,3-dihydroindole
CID 110751917
1-[(3,4-dichlorophenyl)methylsulfonyl]-2-methylpiperidine
CID 56513515

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine (CID 110707864) is 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine is CC1CN(C)CCN1S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine?
The InChIKey is HXMWWELUYQHLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-11-9-15(2)7-8-16(11)19(17,18)10-12-3-5-13(14)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine?
1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine has a molecular weight of 302.83 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-2,4-dimethylpiperazine is sourced from PubChem (CID 110707864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).