2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide

C7H12N6O4S — CID 80905959

IUPAC2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C7H12N6O4S/c8-12-6-2-1-5(13(14)15)7(11-6)10-3-4-18(9,16)17/h1-2H,3-4,8H2,(H2,9,16,17)(H2,10,11,12)
InChIKeyBRUWUJHIMIIAPH-UHFFFAOYSA-N
MW276.28 g/mol
LogP-1.02
Rot. Bonds6

About 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 80905959) has the molecular formula C7H12N6O4S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
PubChem CID80905959
Molecular FormulaC7H12N6O4S
Molecular Weight276.28 g/mol
Exact Mass276.06
IUPAC Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C7H12N6O4S/c8-12-6-2-1-5(13(14)15)7(11-6)10-3-4-18(9,16)17/h1-2H,3-4,8H2,(H2,9,16,17)(H2,10,11,12)
InChIKeyBRUWUJHIMIIAPH-UHFFFAOYSA-N
XLogP-1.02
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
methyl 5-nitro-6-(2-sulfamoylethylamino)pyridine-2-carboxylate
CID 114403662
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 114140159
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide (CID 80905959) is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide is NNc1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is BRUWUJHIMIIAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O4S/c8-12-6-2-1-5(13(14)15)7(11-6)10-3-4-18(9,16)17/h1-2H,3-4,8H2,(H2,9,16,17)(H2,10,11,12).
What are the key properties of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide?
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 276.28 g/mol, XLogP of -1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 80905959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).