2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide

C15H12FN3O3S2 — CID 7386845

IUPAC2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccccc1
InChIInChI=1S/C15H12FN3O3S2/c16-10-6-7-12-13(8-10)24(21,22)19-15(18-12)23-9-14(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyPACLCXSRVKWDND-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.67
Rot. Bonds3

About 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide

2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 7386845) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID7386845
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC Name2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccccc1
InChIInChI=1S/C15H12FN3O3S2/c16-10-6-7-12-13(8-10)24(21,22)19-15(18-12)23-9-14(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyPACLCXSRVKWDND-UHFFFAOYSA-N
XLogP2.67
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide with MolForge

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Related Compounds

N-{4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(phenyl)sulfamoyl]phenyl}acetamide
CID 2965080
7-fluoro-1,1-dioxo-N-phenyl-1lambda6,4,2-benzodithiazin-3-amine
CID 2349012
2-((1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-phenethylacetamide
CID 7192025
2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7386906
2-((1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-1-(piperidin-1-yl)ethanone
CID 18579931
2-((7-chloro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 18579963
2-((7-chloro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(3-fluorophenyl)acetamide
CID 18579965
2-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 18579962
2-((7-fluoro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 7386866
2-((7-fluoro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(4-fluorobenzyl)acetamide
CID 7386901
2-(1,1-dioxo-1lambda6,2,4-benzothiadiazin-4-yl)-N-(4-fluorophenyl)acetamide
CID 16033770
2-(1,1-dioxido-4H-1,2,4-benzothiadiazin-4-yl)-N-(2-fluorophenyl)acetamide
CID 16033780

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide (CID 7386845) is 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide is O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccccc1.
What is the InChIKey of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is PACLCXSRVKWDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c16-10-6-7-12-13(8-10)24(21,22)19-15(18-12)23-9-14(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide?
2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 365.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 7386845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).