1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine

C14H20Br2N2O2S — CID 64978223

IUPAC1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)C(CC)CN1
InChIInChI=1S/C14H20Br2N2O2S/c1-3-11-9-18(12(4-2)8-17-11)21(19,20)14-6-5-10(15)7-13(14)16/h5-7,11-12,17H,3-4,8-9H2,1-2H3
InChIKeyTTZZROFCBCXGSG-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.36
Rot. Bonds4

About 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine

1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine (PubChem CID 64978223) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
PubChem CID64978223
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)C(CC)CN1
InChIInChI=1S/C14H20Br2N2O2S/c1-3-11-9-18(12(4-2)8-17-11)21(19,20)14-6-5-10(15)7-13(14)16/h5-7,11-12,17H,3-4,8-9H2,1-2H3
InChIKeyTTZZROFCBCXGSG-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
CID 64978780
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 64978298
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978296
(2S)-1-(2,4-dibromophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717119
2,5-diethyl-N-methylpiperazine-1-sulfonamide
CID 114810900
1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
CID 64978816
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
N,N,2,5-tetraethylpiperazine-1-sulfonamide
CID 64978285
3-bromo-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882786
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64977891

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine?
The IUPAC name of 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine (CID 64978223) is 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine.
What is the SMILES notation for 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine?
The canonical SMILES for 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine is CCC1CN(S(=O)(=O)c2ccc(Br)cc2Br)C(CC)CN1.
What is the InChIKey of 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine?
The InChIKey is TTZZROFCBCXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-3-11-9-18(12(4-2)8-17-11)21(19,20)14-6-5-10(15)7-13(14)16/h5-7,11-12,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine?
1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine has a molecular weight of 440.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine is sourced from PubChem (CID 64978223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).