2,5-Dimethoxybenzenesulfonamide

C8H11NO4SCAS 19116-90-6217.24 g/mol

Open in Covalent MOL file
OOSNH2OO
EtherSulfonamide

Properties

Molecular formula
C8H11NO4S
Molar mass
217.24 g/mol
Exact mass
217.0409 Da
Melting point
47.5–48.5 °C
logP
0.35Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
19116-90-6
SMILES
COc1ccc(OC)c(S(N)(=O)=O)c1
InChIKey
MMHMYFWOECSGDR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO4S/c1-12-6-3-4-7(13-2)8(5-6)14(9,10)11/h3-5H,1-2H3,(H2,9,10,11)

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Names and synonyms

3 names
  • Benzenesulfonamide, 2,5-dimethoxy-
  • 2,5-Dimethoxybenzene-1-sulfonamide
  • 2,5-Dimethoxy-benzenesulfonic acid amide

Work with 2,5-Dimethoxybenzenesulfonamide

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

2,5-Dimethoxybenzenesulfonyl chloride1483-28-961 % similar 4-Methoxybenzenesulfonamide1129-26-656 % similar (R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide112101-81-256 % similar 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-556 % similar (R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide hydrochloride112101-75-452 % similar 2,5-Dimethoxyaniline102-56-750 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1,1-Dimethoxyethyl)thiazole-5-carboxylic acid2168221-63-2 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine3918-73-8 4-Amino-5-methoxy-2-toluenesulfonic acid6471-78-9

Elsewhere

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