chempirical

Nbqx

C12H8N4O6SCAS 118876-58-7336.28 g/mol

Open in Covalent MOL file
H2NSOON+OO−NHOHON
NitroPhenolSulfonamide

Properties

Molecular formula
C12H8N4O6S
Molar mass
336.28 g/mol
Exact mass
336.0165 Da
logP
0.75Crippen estimate
Polar surface area
169.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
2

Identifiers

CAS number
118876-58-7
SMILES
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12
InChIKey
UQNAFPHGVPVTAL-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)

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Names and synonyms

3 names
  • Benzo[f]quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo-
  • 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo[f]quinoxaline-7-sulfonamide
  • FG 9202

Work with Nbqx

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

Similar compounds

Cnqx115066-14-340 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-038 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-638 % similar 3-Nitrobenzenesulfonamide121-52-838 % similar 3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid22892-96-238 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-136 % similar 4-Nitrobenzenesulfonamide6325-93-535 % similar 3-Nitro-2(1H)-pyridinone6332-56-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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