N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide

C7H9N3O5S — CID 12684266

IUPACN-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1cncc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C7H9N3O5S/c11-2-1-9-16(14,15)7-3-6(10(12)13)4-8-5-7/h3-5,9,11H,1-2H2
InChIKeyBCOFPFPJRVAIIH-UHFFFAOYSA-N
MW247.23 g/mol
LogP-0.74
Rot. Bonds5

About N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide

N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide (PubChem CID 12684266) has the molecular formula C7H9N3O5S and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide
PubChem CID12684266
Molecular FormulaC7H9N3O5S
Molecular Weight247.23 g/mol
Exact Mass247.03
IUPAC NameN-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1cncc(S(=O)(=O)NCCO)c1
InChIInChI=1S/C7H9N3O5S/c11-2-1-9-16(14,15)7-3-6(10(12)13)4-8-5-7/h3-5,9,11H,1-2H2
InChIKeyBCOFPFPJRVAIIH-UHFFFAOYSA-N
XLogP-0.74
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 166208269
N-[2-(methylamino)ethyl]-3,5-dinitrobenzenesulfonamide;hydrochloride
CID 14723805
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
N-(5-hydroxy-3-phenylpentyl)-3-nitrobenzenesulfonamide
CID 121112304
5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 61052286
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
CID 107745988
3-aminopropanenitrile;N-(2-cyanoethyl)-3-nitrobenzenesulfonamide
CID 173212323
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
3-nitro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721155

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide (CID 12684266) is N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide is O=[N+]([O-])c1cncc(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide?
The InChIKey is BCOFPFPJRVAIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5S/c11-2-1-9-16(14,15)7-3-6(10(12)13)4-8-5-7/h3-5,9,11H,1-2H2.
What are the key properties of N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide?
N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide has a molecular weight of 247.23 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide is sourced from PubChem (CID 12684266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).