4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

C15H9FN2O2S — CID 738864

IUPAC4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20)
InChIKeyLLXRHWMYQMGCDT-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.05
Rot. Bonds2

About 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide

4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (PubChem CID 738864) has the molecular formula C15H9FN2O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
PubChem CID738864
Molecular FormulaC15H9FN2O2S
Molecular Weight300.31 g/mol
Exact Mass300.04
IUPAC Name4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C15H9FN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20)
InChIKeyLLXRHWMYQMGCDT-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide (CID 738864) is 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
The InChIKey is LLXRHWMYQMGCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S/c16-10-7-5-9(6-8-10)13(19)17-15-18-14(20)11-3-1-2-4-12(11)21-15/h1-8H,(H,17,18,19,20).
What are the key properties of 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide?
4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxo-1,3-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 738864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).