5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide

C7H12BrN5O2S — CID 83025691

IUPAC5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C7H12BrN5O2S/c1-13(2)12-16(14,15)6-3-5(8)4-10-7(6)11-9/h3-4,12H,9H2,1-2H3,(H,10,11)
InChIKeyOWTQRCFSKGQEFF-UHFFFAOYSA-N
MW310.18 g/mol
LogP-0.12
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide

5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide (PubChem CID 83025691) has the molecular formula C7H12BrN5O2S and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
PubChem CID83025691
Molecular FormulaC7H12BrN5O2S
Molecular Weight310.18 g/mol
Exact Mass308.99
IUPAC Name5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C7H12BrN5O2S/c1-13(2)12-16(14,15)6-3-5(8)4-10-7(6)11-9/h3-4,12H,9H2,1-2H3,(H,10,11)
InChIKeyOWTQRCFSKGQEFF-UHFFFAOYSA-N
XLogP-0.12
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-2-hydrazinyl-N-(1-methylcyclopentyl)pyridine-3-sulfonamide
CID 64687857
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-2-hydrazinyl-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83025411
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide?
The IUPAC name of 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide (CID 83025691) is 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide is CN(C)NS(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide?
The InChIKey is OWTQRCFSKGQEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN5O2S/c1-13(2)12-16(14,15)6-3-5(8)4-10-7(6)11-9/h3-4,12H,9H2,1-2H3,(H,10,11).
What are the key properties of 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide?
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide has a molecular weight of 310.18 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide is sourced from PubChem (CID 83025691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).