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

C15H12FN3O3S2 — CID 18579964

IUPAC2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN3O3S2/c16-10-4-3-5-11(8-10)17-14(20)9-23-15-18-12-6-1-2-7-13(12)24(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyUSOBOBCWLWJLDA-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.67
Rot. Bonds3

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

2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 18579964) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID18579964
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC Name2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN3O3S2/c16-10-4-3-5-11(8-10)17-14(20)9-23-15-18-12-6-1-2-7-13(12)24(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyUSOBOBCWLWJLDA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 18579964) is 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is O=C(CSC1=NS(=O)(=O)c2ccccc2N1)Nc1cccc(F)c1.
What is the InChIKey of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is USOBOBCWLWJLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c16-10-4-3-5-11(8-10)17-14(20)9-23-15-18-12-6-1-2-7-13(12)24(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide 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-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 18579964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).