5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide

C13H23BrN4O2S — CID 61437324

IUPAC5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H23BrN4O2S/c1-4-10(5-2)9-18(6-3)21(19,20)12-7-11(14)8-16-13(12)17-15/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyXROBZEONMIXQOR-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.58
Rot. Bonds8

About 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61437324) has the molecular formula C13H23BrN4O2S and a molecular weight of 379.32 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61437324
Molecular FormulaC13H23BrN4O2S
Molecular Weight379.32 g/mol
Exact Mass378.07
IUPAC Name5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H23BrN4O2S/c1-4-10(5-2)9-18(6-3)21(19,20)12-7-11(14)8-16-13(12)17-15/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyXROBZEONMIXQOR-UHFFFAOYSA-N
XLogP2.58
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
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,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152566
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61437323
5-bromo-2-hydrazinyl-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 61299318
5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62143796
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide (CID 61437324) is 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is XROBZEONMIXQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O2S/c1-4-10(5-2)9-18(6-3)21(19,20)12-7-11(14)8-16-13(12)17-15/h7-8,10H,4-6,9,15H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 379.32 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61437324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).