1-[(4-Nitrophenyl)sulfonyl]-1H-1,2,4-triazole

C₈H₆N₄O₄SCAS 57777-84-1254.22 g/mol

Open in Covalent MOL file

Nitro Sulfone Tertiary Amine

Properties

Molecular formula: C₈H₆N₄O₄S
Molar mass: 254.22 g/mol
Exact mass: 254.0110 Da
logP: 0.42Crippen estimate
Polar surface area: 108.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Identifiers

CAS number

57777-84-1

SMILES

O=[N+]([O-])c1ccc(S(=O)(=O)n2cncn2)cc1

InChIKey

HMNOLKQVFZCVIW-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N4O4S/c13-12(14)7-1-3-8(4-2-7)17(15,16)11-6-9-5-10-11/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-1,2,4-Triazole, 1-[(4-nitrophenyl)sulfonyl]-
1-(4-Nitrophenylsulfonyl)-1H-1,2,4-triazole
1-(4-Nitrobenzenesulfonyl)-1,2,4-triazole
1-(4-Nitrophenyl)sulfonyl-1,2,4-triazole

Work with 1-[(4-Nitrophenyl)sulfonyl]-1H-1,2,4-triazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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