N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

C20H14BrClN2O3S — CID 28591895

IUPACN-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C20H14BrClN2O3S/c21-16-10-9-13(11-17(16)22)23-20(25)12-24-18-7-3-1-5-14(18)15-6-2-4-8-19(15)28(24,26)27/h1-11H,12H2,(H,23,25)
InChIKeyTZPFDQALGHGJBW-UHFFFAOYSA-N
MW477.77 g/mol
LogP4.92
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (PubChem CID 28591895) has the molecular formula C20H14BrClN2O3S and a molecular weight of 477.77 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
PubChem CID28591895
Molecular FormulaC20H14BrClN2O3S
Molecular Weight477.77 g/mol
Exact Mass475.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C20H14BrClN2O3S/c21-16-10-9-13(11-17(16)22)23-20(25)12-24-18-7-3-1-5-14(18)15-6-2-4-8-19(15)28(24,26)27/h1-11H,12H2,(H,23,25)
InChIKeyTZPFDQALGHGJBW-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.77
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591715
2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-phenylacetamide
CID 17200692
2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882953
N-(3,4-dimethylphenyl)-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200846
4-[[2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetyl]amino]benzoic acid
CID 92684388
2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 43882946
methyl 4-chloro-3-[[2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetyl]amino]benzoate
CID 28592053
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17200947
N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591725
2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43882858
N-(4-butylphenyl)-2-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591979
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 43882923

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (CID 28591895) is N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The InChIKey is TZPFDQALGHGJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2O3S/c21-16-10-9-13(11-17(16)22)23-20(25)12-24-18-7-3-1-5-14(18)15-6-2-4-8-19(15)28(24,26)27/h1-11H,12H2,(H,23,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide has a molecular weight of 477.77 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is sourced from PubChem (CID 28591895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).