6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide

C9H10N6O4S — CID 106282276

IUPAC6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ncn[nH]1
InChIInChI=1S/C9H10N6O4S/c1-6(9-11-5-12-13-9)14-20(18,19)7-2-3-8(10-4-7)15(16)17/h2-6,14H,1H3,(H,11,12,13)
InChIKeyFMJUYWIWQIZKRV-UHFFFAOYSA-N
MW298.28 g/mol
LogP0.15
Rot. Bonds5

About 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide

6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106282276) has the molecular formula C9H10N6O4S and a molecular weight of 298.28 g/mol. Its IUPAC name is 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106282276
Molecular FormulaC9H10N6O4S
Molecular Weight298.28 g/mol
Exact Mass298.05
IUPAC Name6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ncn[nH]1
InChIInChI=1S/C9H10N6O4S/c1-6(9-11-5-12-13-9)14-20(18,19)7-2-3-8(10-4-7)15(16)17/h2-6,14H,1H3,(H,11,12,13)
InChIKeyFMJUYWIWQIZKRV-UHFFFAOYSA-N
XLogP0.15
TPSA143.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-fluoro-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106282414
3-amino-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283475
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
4-fluoro-2-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106282289
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457
N-(4-hydroxybutan-2-yl)-6-nitropyridine-3-sulfonamide
CID 83186879
4-(2-hydroxyethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283922
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227
2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281481

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 106282276) is 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ncn[nH]1.
What is the InChIKey of 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is FMJUYWIWQIZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4S/c1-6(9-11-5-12-13-9)14-20(18,19)7-2-3-8(10-4-7)15(16)17/h2-6,14H,1H3,(H,11,12,13).
What are the key properties of 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 298.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106282276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).