2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide

C₁₁H₁₁NO₅SCAS 35511-15-0269.27 g/mol

Open in Covalent MOL file

Alkene Ester Sulfonamide

Properties

Molecular formula: C₁₁H₁₁NO₅S
Molar mass: 269.27 g/mol
Exact mass: 269.0358 Da
Melting point: 165 °C
logP: 0.72Crippen estimate
Polar surface area: 83.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Identifiers

CAS number

35511-15-0

SMILES

COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C

InChIKey

NGHIOTWSWSQQNT-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3

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Names and synonyms

3 names

2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide
4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide
Methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Work with 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide

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

4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide24683-26-972 % similar 2H-Thieno[2,3-E]-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide59804-25-063 % similar 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide35511-14-954 % similar Piroxicam36322-90-454 % similar N-Methylsaccharin15448-99-452 % similar Meloxicam71125-38-749 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-737 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-337 % similar

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

Elsewhere

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