5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide

C9H16BrN5O2S — CID 61299692

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C9H16BrN5O2S/c1-15(2)4-3-13-18(16,17)8-5-7(10)6-12-9(8)14-11/h5-6,13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyRVYOVSVCNSKHMR-UHFFFAOYSA-N
MW338.23 g/mol
LogP-0.03
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61299692) has the molecular formula C9H16BrN5O2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61299692
Molecular FormulaC9H16BrN5O2S
Molecular Weight338.23 g/mol
Exact Mass337.02
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C9H16BrN5O2S/c1-15(2)4-3-13-18(16,17)8-5-7(10)6-12-9(8)14-11/h5-6,13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyRVYOVSVCNSKHMR-UHFFFAOYSA-N
XLogP-0.03
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 5-0.03
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-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-2-hydrazinyl-N',N'-dimethylpyridine-3-sulfonohydrazide
CID 83025691
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
5-bromo-N,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 63009803
5-bromo-2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106294324
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61298529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide (CID 61299692) is 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide is CN(C)CCNS(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is RVYOVSVCNSKHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5O2S/c1-15(2)4-3-13-18(16,17)8-5-7(10)6-12-9(8)14-11/h5-6,13H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 338.23 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61299692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).