2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

C15H10F2N2O2S — CID 37015355

IUPAC2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESO=C1CSc2ccc(NC(=O)c3cc(F)ccc3F)cc2N1
InChIInChI=1S/C15H10F2N2O2S/c16-8-1-3-11(17)10(5-8)15(21)18-9-2-4-13-12(6-9)19-14(20)7-22-13/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyDVZHBUYSYFTODQ-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.26
Rot. Bonds2

About 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (PubChem CID 37015355) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
PubChem CID37015355
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESO=C1CSc2ccc(NC(=O)c3cc(F)ccc3F)cc2N1
InChIInChI=1S/C15H10F2N2O2S/c16-8-1-3-11(17)10(5-8)15(21)18-9-2-4-13-12(6-9)19-14(20)7-22-13/h1-6H,7H2,(H,18,21)(H,19,20)
InChIKeyDVZHBUYSYFTODQ-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]butan-2-yl]benzamide
CID 31721153
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 37015144
6-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyridazine-3-carboxamide
CID 61041116
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 40616547
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The IUPAC name of 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (CID 37015355) is 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is O=C1CSc2ccc(NC(=O)c3cc(F)ccc3F)cc2N1.
What is the InChIKey of 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The InChIKey is DVZHBUYSYFTODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-8-1-3-11(17)10(5-8)15(21)18-9-2-4-13-12(6-9)19-14(20)7-22-13/h1-6H,7H2,(H,18,21)(H,19,20).
What are the key properties of 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide has a molecular weight of 320.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is sourced from PubChem (CID 37015355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).