[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine

C10H14BrFN2O2S — CID 105324883

IUPAC[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1cc(F)cc(Br)c1)NN
InChIInChI=1S/C10H14BrFN2O2S/c1-17(15,16)6-10(14-13)4-7-2-8(11)5-9(12)3-7/h2-3,5,10,14H,4,6,13H2,1H3
InChIKeyYERLMSXZYUKINH-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.01
Rot. Bonds5

About [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine

[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine (PubChem CID 105324883) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
PubChem CID105324883
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1cc(F)cc(Br)c1)NN
InChIInChI=1S/C10H14BrFN2O2S/c1-17(15,16)6-10(14-13)4-7-2-8(11)5-9(12)3-7/h2-3,5,10,14H,4,6,13H2,1H3
InChIKeyYERLMSXZYUKINH-UHFFFAOYSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.01
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-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748
[1-(3-bromo-5-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105324738
[1-(4-bromothiophen-2-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105299404
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
[1-(3-bromo-5-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560538
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340
(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
CID 105317597
[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310388
[1-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine (CID 105324883) is [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine is CS(=O)(=O)CC(Cc1cc(F)cc(Br)c1)NN.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
The InChIKey is YERLMSXZYUKINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-17(15,16)6-10(14-13)4-7-2-8(11)5-9(12)3-7/h2-3,5,10,14H,4,6,13H2,1H3.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine has a molecular weight of 325.20 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine is sourced from PubChem (CID 105324883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).