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

C15H11F2N3O3S2 — CID 7386873

IUPAC2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(F)cc1
InChIInChI=1S/C15H11F2N3O3S2/c16-9-1-4-11(5-2-9)18-14(21)8-24-15-19-12-6-3-10(17)7-13(12)25(22,23)20-15/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyINQSSANZAMKKEP-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.81
Rot. Bonds3

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

2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 7386873) has the molecular formula C15H11F2N3O3S2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID7386873
Molecular FormulaC15H11F2N3O3S2
Molecular Weight383.40 g/mol
Exact Mass383.02
IUPAC Name2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(F)cc1
InChIInChI=1S/C15H11F2N3O3S2/c16-9-1-4-11(5-2-9)18-14(21)8-24-15-19-12-6-3-10(17)7-13(12)25(22,23)20-15/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyINQSSANZAMKKEP-UHFFFAOYSA-N
XLogP2.81
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 7386873) is 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is INQSSANZAMKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S2/c16-9-1-4-11(5-2-9)18-14(21)8-24-15-19-12-6-3-10(17)7-13(12)25(22,23)20-15/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(7-fluoro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 2.81, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7386873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).