5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide

C9H15BrN4O2S — CID 61298909

IUPAC5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C9H15BrN4O2S/c1-3-14(4-2)17(15,16)8-5-7(10)6-12-9(8)13-11/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyZTDVSJJKKZMGHO-UHFFFAOYSA-N
MW323.22 g/mol
LogP1.16
Rot. Bonds5

About 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61298909) has the molecular formula C9H15BrN4O2S and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61298909
Molecular FormulaC9H15BrN4O2S
Molecular Weight323.22 g/mol
Exact Mass322.01
IUPAC Name5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C9H15BrN4O2S/c1-3-14(4-2)17(15,16)8-5-7(10)6-12-9(8)13-11/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyZTDVSJJKKZMGHO-UHFFFAOYSA-N
XLogP1.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 51.16
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-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61437324
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
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-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide (CID 61298909) is 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is ZTDVSJJKKZMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2S/c1-3-14(4-2)17(15,16)8-5-7(10)6-12-9(8)13-11/h5-6H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 323.22 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61298909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).