5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

C9H15BrN4O3S — CID 61300273

IUPAC5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C9H15BrN4O3S/c1-2-14(3-4-15)18(16,17)8-5-7(10)6-12-9(8)13-11/h5-6,15H,2-4,11H2,1H3,(H,12,13)
InChIKeyGQNYKBITRNOPMY-UHFFFAOYSA-N
MW339.22 g/mol
LogP0.13
Rot. Bonds6

About 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 61300273) has the molecular formula C9H15BrN4O3S and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID61300273
Molecular FormulaC9H15BrN4O3S
Molecular Weight339.22 g/mol
Exact Mass338.00
IUPAC Name5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C9H15BrN4O3S/c1-2-14(3-4-15)18(16,17)8-5-7(10)6-12-9(8)13-11/h5-6,15H,2-4,11H2,1H3,(H,12,13)
InChIKeyGQNYKBITRNOPMY-UHFFFAOYSA-N
XLogP0.13
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 50.13
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,N-diethyl-2-hydrazinylpyridine-3-sulfonamide
CID 61298909
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61437324
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159191
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (CID 61300273) is 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is CCN(CCO)S(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is GQNYKBITRNOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O3S/c1-2-14(3-4-15)18(16,17)8-5-7(10)6-12-9(8)13-11/h5-6,15H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 339.22 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61300273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).