1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone

C15H13NO4S — CID 2314340

IUPAC1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(C)=O
InChIInChI=1S/C15H13NO4S/c1-10(17)16-14-8-7-11(20-2)9-13(14)12-5-3-4-6-15(12)21(16,18)19/h3-9H,1-2H3
InChIKeyQWHQYEJDFKFBFC-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.42
Rot. Bonds1

About 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone

1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone (PubChem CID 2314340) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone.

Molecular Properties

Compound Name1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone
PubChem CID2314340
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone
SMILESCOc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(C)=O
InChIInChI=1S/C15H13NO4S/c1-10(17)16-14-8-7-11(20-2)9-13(14)12-5-3-4-6-15(12)21(16,18)19/h3-9H,1-2H3
InChIKeyQWHQYEJDFKFBFC-UHFFFAOYSA-N
XLogP2.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
6-Ethoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 1069778
1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 18125907
9-Methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 775733
N-[4-(6-Methoxy-2,2,4-trimethyl-2H-quinoline-1-sulfonyl)-phenyl]-acetamide
CID 1015805
N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
CID 1101639
1-acetyl-N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7401518
6-Ethoxy-1-(4-fluoro-benzenesulfonyl)-2,2,4-trimethyl-1,2-dihydro-quinoline
CID 1118707
1-(6-{[4-(4-Methoxyphenyl)piperazin-1-YL]sulfonyl}-1,2,3,4-tetrahydroquinolin-1-YL)ethan-1-one
CID 16031524
6-methoxy-3-(methylsulfonyl)-4-phenethylquinolin-2(1H)-one
CID 52941597
1-acetyl-N-(4-ethoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 16031558
4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 73347960

Frequently Asked Questions

What is the IUPAC name of 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone?
The IUPAC name of 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone (CID 2314340) is 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone.
What is the SMILES notation for 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone?
The canonical SMILES for 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone is COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(C)=O.
What is the InChIKey of 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone?
The InChIKey is QWHQYEJDFKFBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-10(17)16-14-8-7-11(20-2)9-13(14)12-5-3-4-6-15(12)21(16,18)19/h3-9H,1-2H3.
What are the key properties of 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone?
1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone has a molecular weight of 303.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)ethanone is sourced from PubChem (CID 2314340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).