6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide

C19H15NO5S2 — CID 3719228

IUPAC6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCOc1cccc2c1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C19H15NO5S2/c1-25-17-12-7-11-16-15-10-5-6-13-18(15)27(23,24)20(19(16)17)26(21,22)14-8-3-2-4-9-14/h2-13H,1H3
InChIKeyAUMVHMDOFQXABW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.26
Rot. Bonds3

About 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide

6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 3719228) has the molecular formula C19H15NO5S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID3719228
Molecular FormulaC19H15NO5S2
Molecular Weight401.47 g/mol
Exact Mass401.04
IUPAC Name6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCOc1cccc2c1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C19H15NO5S2/c1-25-17-12-7-11-16-15-10-5-6-13-18(15)27(23,24)20(19(16)17)26(21,22)14-8-3-2-4-9-14/h2-13H,1H3
InChIKeyAUMVHMDOFQXABW-UHFFFAOYSA-N
XLogP3.26
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-5-(2-methoxyphenyl)-3-phenylpyrrolo[2,3-b]pyridine
CID 90239025
9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 6618136
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
2-iodo-4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 141137039
1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635382
1-fluoro-8-methoxy-3,4-dioxo-2H-quinoline-2-carboxylic acid;hydrochloride
CID 141007422
N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide
CID 53276867
2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 86807968
1-fluoro-8-methoxy-3,4-dioxo-2H-quinoline-2-carboxylic acid;hydrate;hydrochloride
CID 141007420
1-(benzenesulfonyl)-7-methoxyindole-3-sulfonic acid
CID 90935850
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
1-(benzenesulfonyl)-4-(2,3-dimethoxyphenyl)-3-phenoxyazetidin-2-one
CID 46242811

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide (CID 3719228) is 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide is COc1cccc2c1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is AUMVHMDOFQXABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S2/c1-25-17-12-7-11-16-15-10-5-6-13-18(15)27(23,24)20(19(16)17)26(21,22)14-8-3-2-4-9-14/h2-13H,1H3.
What are the key properties of 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide?
6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 401.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 3719228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).