1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine

C15H23BrN2O2S — CID 64978780

IUPAC1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C(CC)CN1
InChIInChI=1S/C15H23BrN2O2S/c1-4-12-10-18(13(5-2)9-17-12)21(19,20)14-6-7-15(16)11(3)8-14/h6-8,12-13,17H,4-5,9-10H2,1-3H3
InChIKeyFENPDCPNHAXVQX-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine

1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine (PubChem CID 64978780) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
PubChem CID64978780
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C(CC)CN1
InChIInChI=1S/C15H23BrN2O2S/c1-4-12-10-18(13(5-2)9-17-12)21(19,20)14-6-7-15(16)11(3)8-14/h6-8,12-13,17H,4-5,9-10H2,1-3H3
InChIKeyFENPDCPNHAXVQX-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978223
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978296
(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine
CID 166595425
1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 64978298
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506094
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
1-(4-bromo-3-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052371
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
3-(4-bromo-3-methylphenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369738

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine (CID 64978780) is 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine is CCC1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C(CC)CN1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine?
The InChIKey is FENPDCPNHAXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-4-12-10-18(13(5-2)9-17-12)21(19,20)14-6-7-15(16)11(3)8-14/h6-8,12-13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine?
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine has a molecular weight of 375.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine is sourced from PubChem (CID 64978780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).