1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo(f)quinoxaline-7-sulfonamide

C₁₂H₈N₄O₆SCAS 118876-58-7336.28 g/mol

Open in Covalent MOL file

Nitro Phenol Sulfonamide

Properties

Molecular formula: C₁₂H₈N₄O₆S
Molar mass: 336.28 g/mol
Exact mass: 336.0165 Da
logP: 0.75Crippen estimate
Polar surface area: 169.5 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

4 names

Nbqx
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 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo(f)quinoxaline-7-sulfonamide

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

2-Nitrobenzenesulfonamide5455-59-447 % similar 5-Nitrophthalhydrazide3682-15-342 % similar 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-Fluoro-3-nitrobenzenesulfonamide406233-31-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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