[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine

C12H18BrFN2O2S — CID 105310908

IUPAC[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H18BrFN2O2S/c1-2-19(17,18)7-3-4-12(16-15)9-5-6-10(13)11(14)8-9/h5-6,8,12,16H,2-4,7,15H2,1H3
InChIKeyRJCYMIYQIVAGAJ-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.31
Rot. Bonds7

About [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine

[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 105310908) has the molecular formula C12H18BrFN2O2S and a molecular weight of 353.26 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID105310908
Molecular FormulaC12H18BrFN2O2S
Molecular Weight353.26 g/mol
Exact Mass352.03
IUPAC Name[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H18BrFN2O2S/c1-2-19(17,18)7-3-4-12(16-15)9-5-6-10(13)11(14)8-9/h5-6,8,12,16H,2-4,7,15H2,1H3
InChIKeyRJCYMIYQIVAGAJ-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-fluorophenyl)heptylhydrazine
CID 105294043
1-(4-bromo-3-fluorophenyl)nonylhydrazine
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[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
CID 105200654
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
1-(4-bromo-3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 115821022
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[1-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105191911
4-ethylsulfonyl-N-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65095652
1-(3-bromo-5-fluorophenyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 66423448
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116
1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 114974614

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine (CID 105310908) is [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine is CCS(=O)(=O)CCCC(NN)c1ccc(Br)c(F)c1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is RJCYMIYQIVAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O2S/c1-2-19(17,18)7-3-4-12(16-15)9-5-6-10(13)11(14)8-9/h5-6,8,12,16H,2-4,7,15H2,1H3.
What are the key properties of [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine has a molecular weight of 353.26 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105310908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).