5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide

C10H17BrN4O2S — CID 61301233

IUPAC5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C10H17BrN4O2S/c1-3-4-5-15(2)18(16,17)9-6-8(11)7-13-10(9)14-12/h6-7H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyZHAFRBHWIWWPNG-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.55
Rot. Bonds6

About 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide

5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide (PubChem CID 61301233) has the molecular formula C10H17BrN4O2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
PubChem CID61301233
Molecular FormulaC10H17BrN4O2S
Molecular Weight337.24 g/mol
Exact Mass336.03
IUPAC Name5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C10H17BrN4O2S/c1-3-4-5-15(2)18(16,17)9-6-8(11)7-13-10(9)14-12/h6-7H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyZHAFRBHWIWWPNG-UHFFFAOYSA-N
XLogP1.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.55
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-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
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-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide (CID 61301233) is 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide is CCCCN(C)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
The InChIKey is ZHAFRBHWIWWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O2S/c1-3-4-5-15(2)18(16,17)9-6-8(11)7-13-10(9)14-12/h6-7H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide?
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61301233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).