4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine

C13H18Br2N2O2S — CID 63605466

IUPAC4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C13H18Br2N2O2S/c1-3-16-6-7-17(9-10(16)2)20(18,19)13-5-4-11(14)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyHUZHSKSBUPCIFT-UHFFFAOYSA-N
MW426.17 g/mol
LogP2.93
Rot. Bonds3

About 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine

4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine (PubChem CID 63605466) has the molecular formula C13H18Br2N2O2S and a molecular weight of 426.17 g/mol. Its IUPAC name is 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
PubChem CID63605466
Molecular FormulaC13H18Br2N2O2S
Molecular Weight426.17 g/mol
Exact Mass423.95
IUPAC Name4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C13H18Br2N2O2S/c1-3-16-6-7-17(9-10(16)2)20(18,19)13-5-4-11(14)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyHUZHSKSBUPCIFT-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
4-[4-(chloromethyl)-2-fluorophenyl]sulfonyl-1-ethyl-2-methylpiperazine
CID 79177458
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-3-methoxyaniline
CID 63604874
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 63616216

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine?
The IUPAC name of 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine (CID 63605466) is 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine.
What is the SMILES notation for 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine?
The canonical SMILES for 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1C.
What is the InChIKey of 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine?
The InChIKey is HUZHSKSBUPCIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S/c1-3-16-6-7-17(9-10(16)2)20(18,19)13-5-4-11(14)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine?
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine has a molecular weight of 426.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine is sourced from PubChem (CID 63605466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).