N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide

C15H11F2N3O3S — CID 22588774

IUPACN-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESO=C(CC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O3S/c16-10-6-5-9(7-11(10)17)18-15(21)8-14-19-12-3-1-2-4-13(12)24(22,23)20-14/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyPTBUFISDBLXHHN-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.51
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide

N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (PubChem CID 22588774) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
PubChem CID22588774
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC NameN-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
SMILESO=C(CC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O3S/c16-10-6-5-9(7-11(10)17)18-15(21)8-14-19-12-3-1-2-4-13(12)24(22,23)20-14/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyPTBUFISDBLXHHN-UHFFFAOYSA-N
XLogP2.51
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide with MolForge

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Related Compounds

(3R)-N-(3,4-difluorophenyl)-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3-methylbutanamide
CID 92715069
N-(2,6-dimethylphenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 22588773
4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-N-(3-methylphenyl)butanamide
CID 22588518
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide
CID 46274970
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoate
CID 18560261
N-(3,4-dichlorophenyl)-2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 18579973
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 29101500
3-(chloromethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4132234
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide (CID 22588774) is N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is O=C(CC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
The InChIKey is PTBUFISDBLXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c16-10-6-5-9(7-11(10)17)18-15(21)8-14-19-12-3-1-2-4-13(12)24(22,23)20-14/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide?
N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide has a molecular weight of 351.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 22588774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).