N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C11H8N6O4S — CID 100926768

IUPACN-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C11H8N6O4S/c18-17(19)9-4-2-8(3-5-9)15-22(20,21)11-13-10-12-6-1-7-16(10)14-11/h1-7,15H
InChIKeyMDQXOODHNXFWAC-UHFFFAOYSA-N
MW320.29 g/mol
LogP0.83
Rot. Bonds4

About N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 100926768) has the molecular formula C11H8N6O4S and a molecular weight of 320.29 g/mol. Its IUPAC name is N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID100926768
Molecular FormulaC11H8N6O4S
Molecular Weight320.29 g/mol
Exact Mass320.03
IUPAC NameN-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C11H8N6O4S/c18-17(19)9-4-2-8(3-5-9)15-22(20,21)11-13-10-12-6-1-7-16(10)14-11/h1-7,15H
InChIKeyMDQXOODHNXFWAC-UHFFFAOYSA-N
XLogP0.83
TPSA132.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-(4-nitrophenyl)pyrimidine-2-sulfonamide
CID 172600186
N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 19080779
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16618002
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
3-(4-nitrophenyl)-5-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 46481822
1-(4-nitrophenyl)sulfonylpyrazole
CID 737698
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122297886
1-(4-nitrophenyl)pyrimidin-2-one
CID 59260079
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565
N-(4-nitrophenyl)ethanesulfonamide
CID 521811

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 100926768) is N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2nc3ncccn3n2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is MDQXOODHNXFWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O4S/c18-17(19)9-4-2-8(3-5-9)15-22(20,21)11-13-10-12-6-1-7-16(10)14-11/h1-7,15H.
What are the key properties of N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 320.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 100926768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).