5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide

C10H17BrN4O2S — CID 61298746

IUPAC5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C10H17BrN4O2S/c1-10(2,3)6-14-18(16,17)8-4-7(11)5-13-9(8)15-12/h4-5,14H,6,12H2,1-3H3,(H,13,15)
InChIKeyLPBQIAOTIYJMMZ-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.45
Rot. Bonds4

About 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61298746) has the molecular formula C10H17BrN4O2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61298746
Molecular FormulaC10H17BrN4O2S
Molecular Weight337.24 g/mol
Exact Mass336.03
IUPAC Name5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C10H17BrN4O2S/c1-10(2,3)6-14-18(16,17)8-4-7(11)5-13-9(8)15-12/h4-5,14H,6,12H2,1-3H3,(H,13,15)
InChIKeyLPBQIAOTIYJMMZ-UHFFFAOYSA-N
XLogP1.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.45
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-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106294324
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 63009803
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61298529
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103464359
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide (CID 61298746) is 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide is CC(C)(C)CNS(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is LPBQIAOTIYJMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O2S/c1-10(2,3)6-14-18(16,17)8-4-7(11)5-13-9(8)15-12/h4-5,14H,6,12H2,1-3H3,(H,13,15).
What are the key properties of 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61298746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).