1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine

C12H11BrClN3O2S — CID 70204572

IUPAC1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NNc2cncc(Br)c2)cc1Cl
InChIInChI=1S/C12H11BrClN3O2S/c1-20(18,19)12-3-2-9(5-11(12)14)16-17-10-4-8(13)6-15-7-10/h2-7,16-17H,1H3
InChIKeyJKPAGYDIPJHLHR-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.34
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine

1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine (PubChem CID 70204572) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine
PubChem CID70204572
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NNc2cncc(Br)c2)cc1Cl
InChIInChI=1S/C12H11BrClN3O2S/c1-20(18,19)12-3-2-9(5-11(12)14)16-17-10-4-8(13)6-15-7-10/h2-7,16-17H,1H3
InChIKeyJKPAGYDIPJHLHR-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
5-bromo-N-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-3-amine
CID 133319936
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
CID 113423544
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dichloroaniline
CID 113454105
5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine
CID 75422660
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine (CID 70204572) is 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine is CS(=O)(=O)c1ccc(NNc2cncc(Br)c2)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine?
The InChIKey is JKPAGYDIPJHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c1-20(18,19)12-3-2-9(5-11(12)14)16-17-10-4-8(13)6-15-7-10/h2-7,16-17H,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine?
1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine has a molecular weight of 376.66 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(3-chloro-4-methylsulfonylphenyl)hydrazine is sourced from PubChem (CID 70204572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).