(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone

C20H15NO3S — CID 3637684

IUPAC(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone
SMILESCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1
InChIInChI=1S/C20H15NO3S/c1-14-11-12-18-17(13-14)16-9-5-6-10-19(16)25(23,24)21(18)20(22)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyKWEHHERKCDYBLC-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.01
Rot. Bonds1

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

(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone (PubChem CID 3637684) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone
PubChem CID3637684
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone
SMILESCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1
InChIInChI=1S/C20H15NO3S/c1-14-11-12-18-17(13-14)16-9-5-6-10-19(16)25(23,24)21(18)20(22)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyKWEHHERKCDYBLC-UHFFFAOYSA-N
XLogP4.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone?
The IUPAC name of (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone (CID 3637684) is (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone.
What is the SMILES notation for (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone?
The canonical SMILES for (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone is Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(=O)c1ccccc1.
What is the InChIKey of (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone?
The InChIKey is KWEHHERKCDYBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-14-11-12-18-17(13-14)16-9-5-6-10-19(16)25(23,24)21(18)20(22)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone?
(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone has a molecular weight of 349.41 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-phenylmethanone is sourced from PubChem (CID 3637684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).