1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine

C12H16Cl2N2O2S — CID 63874253

IUPAC1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
SMILESCC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC(C)N1
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-6-16(7-9(2)15-8)19(17,18)12-10(13)4-3-5-11(12)14/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyRGLAACQASWFKGX-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine

1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine (PubChem CID 63874253) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
PubChem CID63874253
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
SMILESCC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC(C)N1
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-6-16(7-9(2)15-8)19(17,18)12-10(13)4-3-5-11(12)14/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyRGLAACQASWFKGX-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872348
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872723
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593256
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
1-(2-chloro-6-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982023
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
2-(2,6-dichlorophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120584113
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
1-(2-chloro-6-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 47952659
3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine (CID 63874253) is 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine is CC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC(C)N1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
The InChIKey is RGLAACQASWFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8-6-16(7-9(2)15-8)19(17,18)12-10(13)4-3-5-11(12)14/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine has a molecular weight of 323.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine is sourced from PubChem (CID 63874253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).