1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine

C12H15BrCl2N2O2S — CID 63872723

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
SMILESCC1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC(C)N1
InChIInChI=1S/C12H15BrCl2N2O2S/c1-7-5-17(6-8(2)16-7)20(18,19)12-10(14)3-9(13)4-11(12)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeySTQVTHOYTHCPGG-UHFFFAOYSA-N
MW402.14 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine (PubChem CID 63872723) has the molecular formula C12H15BrCl2N2O2S and a molecular weight of 402.14 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
PubChem CID63872723
Molecular FormulaC12H15BrCl2N2O2S
Molecular Weight402.14 g/mol
Exact Mass399.94
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
SMILESCC1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC(C)N1
InChIInChI=1S/C12H15BrCl2N2O2S/c1-7-5-17(6-8(2)16-7)20(18,19)12-10(14)3-9(13)4-11(12)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeySTQVTHOYTHCPGG-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine (CID 63872723) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine is CC1CN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC(C)N1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
The InChIKey is STQVTHOYTHCPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2O2S/c1-7-5-17(6-8(2)16-7)20(18,19)12-10(14)3-9(13)4-11(12)15/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine has a molecular weight of 402.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine is sourced from PubChem (CID 63872723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).