CAS 35511-15-0|Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide|methyl 4-hydroxy-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxylate|methyl 4-hydroxy-2-methyl-1,1-dioxo-...

General Information

Structure

Molecular Formula

C₁₁H₁₁NO₅S

Molecular Mass

269.27374

Exact Mass

269.03579346

Charge

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

InChIKey

NGHIOTWSWSQQNT-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

S1(=O)(=O)N(C(=C(c2c1cccc2)O)C(=O)OC)C

Calculated Properties

JChem

Acid pKa

4.333779

H Acceptors

H Donor

LogD (pH = 5.5)

-0.6289407

LogD (pH = 7.4)

-2.0746467

Log P

0.55660325

Molar Refractivity

65.3787

Polarizability

25.396803

Polar Surface Area

83.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideMethyl 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide(Piroxicam Impurity J)4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic Acid Methyl Ester 1,1-DioxidePiroxicam Impurity J

IUPAC Traditional name

methyl 4-hydroxy-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxylate methyl 4-hydroxy-2-methyl-1,1-dioxo-1λ⁶,2-benzothiazine-3-carboxylate

IUPAC name

methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1$l^{6},2-benzothiazine-3-carboxylate methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1λ⁶,2-benzothiazine-3-carboxylate

Names and Identifiers

Registration numbers

PubChem SID

162035133

PubChem CID

54676532

MDL Number

MFCD00071766