5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide

C9H13BrN4O2S — CID 62414810

IUPAC5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C9H13BrN4O2S/c10-6-4-8(9(13-11)12-5-6)17(15,16)14-7-2-1-3-7/h4-5,7,14H,1-3,11H2,(H,12,13)
InChIKeyKRAGAODFMLOQAH-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.96
Rot. Bonds4

About 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 62414810) has the molecular formula C9H13BrN4O2S and a molecular weight of 321.20 g/mol. Its IUPAC name is 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
PubChem CID62414810
Molecular FormulaC9H13BrN4O2S
Molecular Weight321.20 g/mol
Exact Mass319.99
IUPAC Name5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C9H13BrN4O2S/c10-6-4-8(9(13-11)12-5-6)17(15,16)14-7-2-1-3-7/h4-5,7,14H,1-3,11H2,(H,12,13)
InChIKeyKRAGAODFMLOQAH-UHFFFAOYSA-N
XLogP0.96
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.96
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-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 61298927
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 61301424
5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 114548138
5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
CID 114119962
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
5-bromo-2-hydrazinyl-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83025411
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-2-hydrazinyl-N-(1-methylcyclopentyl)pyridine-3-sulfonamide
CID 64687857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide (CID 62414810) is 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is KRAGAODFMLOQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2S/c10-6-4-8(9(13-11)12-5-6)17(15,16)14-7-2-1-3-7/h4-5,7,14H,1-3,11H2,(H,12,13).
What are the key properties of 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 321.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 62414810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).