5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide

C13H15BrN4O2S — CID 61298536

IUPAC5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(Br)cnc2NN)c1
InChIInChI=1S/C13H15BrN4O2S/c1-2-9-4-3-5-11(6-9)18-21(19,20)12-7-10(14)8-16-13(12)17-15/h3-8,18H,2,15H2,1H3,(H,16,17)
InChIKeyOVGAELHBTOYXAG-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.49
Rot. Bonds5

About 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61298536) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61298536
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC Name5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(Br)cnc2NN)c1
InChIInChI=1S/C13H15BrN4O2S/c1-2-9-4-3-5-11(6-9)18-21(19,20)12-7-10(14)8-16-13(12)17-15/h3-8,18H,2,15H2,1H3,(H,16,17)
InChIKeyOVGAELHBTOYXAG-UHFFFAOYSA-N
XLogP2.49
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-bromo-N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 65436185
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
5-bromo-N-(3-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144727
5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 62164045
N-(3-bromophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456824
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide (CID 61298536) is 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide is CCc1cccc(NS(=O)(=O)c2cc(Br)cnc2NN)c1.
What is the InChIKey of 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is OVGAELHBTOYXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-2-9-4-3-5-11(6-9)18-21(19,20)12-7-10(14)8-16-13(12)17-15/h3-8,18H,2,15H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).