[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine

C12H18BrFN2O2S — CID 107954240

IUPAC[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1cccc(Br)c1F
InChIInChI=1S/C12H18BrFN2O2S/c1-2-19(17,18)8-4-7-11(16-15)9-5-3-6-10(13)12(9)14/h3,5-6,11,16H,2,4,7-8,15H2,1H3
InChIKeyJQYKQINOZAFKRC-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.31
Rot. Bonds7

About [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine

[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine (PubChem CID 107954240) has the molecular formula C12H18BrFN2O2S and a molecular weight of 353.26 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
PubChem CID107954240
Molecular FormulaC12H18BrFN2O2S
Molecular Weight353.26 g/mol
Exact Mass352.03
IUPAC Name[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1cccc(Br)c1F
InChIInChI=1S/C12H18BrFN2O2S/c1-2-19(17,18)8-4-7-11(16-15)9-5-3-6-10(13)12(9)14/h3,5-6,11,16H,2,4,7-8,15H2,1H3
InChIKeyJQYKQINOZAFKRC-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-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
CID 106649111
[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290950
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310908
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine
CID 105310780
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine (CID 107954240) is [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine is CCS(=O)(=O)CCCC(NN)c1cccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
The InChIKey is JQYKQINOZAFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O2S/c1-2-19(17,18)8-4-7-11(16-15)9-5-3-6-10(13)12(9)14/h3,5-6,11,16H,2,4,7-8,15H2,1H3.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine?
[1-(3-bromo-2-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-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine is sourced from PubChem (CID 107954240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).