2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C22H15ClF3N3O3S — CID 46354063

IUPAC2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15ClF3N3O3S/c23-16-9-10-19-18(12-16)21(14-5-2-1-3-6-14)28-29(33(19,31)32)13-20(30)27-17-8-4-7-15(11-17)22(24,25)26/h1-12H,13H2,(H,27,30)
InChIKeyYWXXONGFVKXXEW-UHFFFAOYSA-N
MW493.89 g/mol
LogP4.75
Rot. Bonds4

About 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 46354063) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID46354063
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC Name2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15ClF3N3O3S/c23-16-9-10-19-18(12-16)21(14-5-2-1-3-6-14)28-29(33(19,31)32)13-20(30)27-17-8-4-7-15(11-17)22(24,25)26/h1-12H,13H2,(H,27,30)
InChIKeyYWXXONGFVKXXEW-UHFFFAOYSA-N
XLogP4.75
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1λ6,2,3-benzothiadiazin-2-yl]-N-(3-methoxyphenyl)acetamide
CID 46354111
2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1λ6,2,3-benzothiadiazin-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 46354121
2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 139656153
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 94848227
N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide
CID 46354038
2-[3-(3-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53029402
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
2-(2-benzoyl-4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2426723
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998161

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 46354063) is 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YWXXONGFVKXXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/c23-16-9-10-19-18(12-16)21(14-5-2-1-3-6-14)28-29(33(19,31)32)13-20(30)27-17-8-4-7-15(11-17)22(24,25)26/h1-12H,13H2,(H,27,30).
What are the key properties of 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 493.89 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46354063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).