3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

C15H11FN2O2S — CID 35874940

IUPAC3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESO=C1CSc2ccc(NC(=O)c3cccc(F)c3)cc2N1
InChIInChI=1S/C15H11FN2O2S/c16-10-3-1-2-9(6-10)15(20)17-11-4-5-13-12(7-11)18-14(19)8-21-13/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyUXVLUNTZYFMJNG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.12
Rot. Bonds2

About 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (PubChem CID 35874940) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
PubChem CID35874940
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESO=C1CSc2ccc(NC(=O)c3cccc(F)c3)cc2N1
InChIInChI=1S/C15H11FN2O2S/c16-10-3-1-2-9(6-10)15(20)17-11-4-5-13-12(7-11)18-14(19)8-21-13/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyUXVLUNTZYFMJNG-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015355
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-(3-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 29371322
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
CID 35875201
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The IUPAC name of 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (CID 35874940) is 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is O=C1CSc2ccc(NC(=O)c3cccc(F)c3)cc2N1.
What is the InChIKey of 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The InChIKey is UXVLUNTZYFMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-10-3-1-2-9(6-10)15(20)17-11-4-5-13-12(7-11)18-14(19)8-21-13/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide has a molecular weight of 302.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is sourced from PubChem (CID 35874940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).