N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

C20H14BrFN2O3S — CID 50814629

IUPACN-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCN1c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C20H14BrFN2O3S/c1-24-18-9-6-12(20(25)23-17-8-7-13(21)11-16(17)22)10-15(18)14-4-2-3-5-19(14)28(24,26)27/h2-11H,1H3,(H,23,25)
InChIKeyIHXVZIDUPWNSRT-UHFFFAOYSA-N
MW461.31 g/mol
LogP4.65
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 50814629) has the molecular formula C20H14BrFN2O3S and a molecular weight of 461.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID50814629
Molecular FormulaC20H14BrFN2O3S
Molecular Weight461.31 g/mol
Exact Mass459.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCN1c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C20H14BrFN2O3S/c1-24-18-9-6-12(20(25)23-17-8-7-13(21)11-16(17)22)10-15(18)14-4-2-3-5-19(14)28(24,26)27/h2-11H,1H3,(H,23,25)
InChIKeyIHXVZIDUPWNSRT-UHFFFAOYSA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368471
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
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
N-[2-(butan-2-ylcarbamoyl)phenyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368463
6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 132654046
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006949
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 50814629) is N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is CN1c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is IHXVZIDUPWNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O3S/c1-24-18-9-6-12(20(25)23-17-8-7-13(21)11-16(17)22)10-15(18)14-4-2-3-5-19(14)28(24,26)27/h2-11H,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 461.31 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).