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

C₁₀H₉NO₅SCAS 35511-14-9255.24 g/mol

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Alkene Ester Sulfonamide

Properties

Molecular formula: C₁₀H₉NO₅S
Molar mass: 255.24 g/mol
Exact mass: 255.0201 Da
Melting point: 173 °C
logP: 0.38Crippen estimate
Polar surface area: 92.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Identifiers

CAS number

35511-14-9

SMILES

COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1

InChIKey

GEUURTZIEGFZAG-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO5S/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8/h2-5,11-12H,1H3

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Names and synonyms

2 names

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

Work with 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

2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide35511-15-054 % similar Sulfometuron methyl74222-97-245 % similar Primisulfuron-methyl86209-51-041 % similar 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide24683-26-940 % similar Chlorimuron99283-00-839 % similar Chlorimuron-ethyl90982-32-438 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-738 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-338 % similar

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

Elsewhere

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