2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine

C12H15Cl3N2O2S — CID 120725706

IUPAC2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
SMILESCC1NCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1C
InChIInChI=1S/C12H15Cl3N2O2S/c1-7-8(2)17(4-3-16-7)20(18,19)12-10(14)5-9(13)6-11(12)15/h5-8,16H,3-4H2,1-2H3
InChIKeyXXXCQFYCDMZNNM-UHFFFAOYSA-N
MW357.69 g/mol
LogP3.02
Rot. Bonds2

About 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine

2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine (PubChem CID 120725706) has the molecular formula C12H15Cl3N2O2S and a molecular weight of 357.69 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
PubChem CID120725706
Molecular FormulaC12H15Cl3N2O2S
Molecular Weight357.69 g/mol
Exact Mass355.99
IUPAC Name2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
SMILESCC1NCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1C
InChIInChI=1S/C12H15Cl3N2O2S/c1-7-8(2)17(4-3-16-7)20(18,19)12-10(14)5-9(13)6-11(12)15/h5-8,16H,3-4H2,1-2H3
InChIKeyXXXCQFYCDMZNNM-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-(3,5-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726080
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
1-(4-bromo-3-chlorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725927
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
(2R,3R)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105357
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-2,3-dimethylpiperazine
CID 120725618
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726084
1-(2,6-dimethyl-4-nitrophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725892
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine?
The IUPAC name of 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine (CID 120725706) is 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine is CC1NCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine?
The InChIKey is XXXCQFYCDMZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2S/c1-7-8(2)17(4-3-16-7)20(18,19)12-10(14)5-9(13)6-11(12)15/h5-8,16H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine?
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine has a molecular weight of 357.69 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 120725706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).