6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide

C21H15F3N2O3S — CID 46368471

IUPAC6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
SMILESCN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C21H15F3N2O3S/c1-26-18-11-6-13(12-17(18)16-4-2-3-5-19(16)30(26,28)29)20(27)25-15-9-7-14(8-10-15)21(22,23)24/h2-12H,1H3,(H,25,27)
InChIKeySHLDYTSOWKLHGD-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.76
Rot. Bonds2

About 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide

6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 46368471) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound Name6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID46368471
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC Name6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
SMILESCN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C21H15F3N2O3S/c1-26-18-11-6-13(12-17(18)16-4-2-3-5-19(16)30(26,28)29)20(27)25-15-9-7-14(8-10-15)21(22,23)24/h2-12H,1H3,(H,25,27)
InChIKeySHLDYTSOWKLHGD-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814534
N-[2-(butan-2-ylcarbamoyl)phenyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368463
N-(3,4-dimethylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814649
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
5,5-dioxo-N-(4-propan-2-ylphenyl)-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814656

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide (CID 46368471) is 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide is CN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is SHLDYTSOWKLHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c1-26-18-11-6-13(12-17(18)16-4-2-3-5-19(16)30(26,28)29)20(27)25-15-9-7-14(8-10-15)21(22,23)24/h2-12H,1H3,(H,25,27).
What are the key properties of 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 46368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).