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

C16H13FN2O2S — CID 110784744

IUPAC3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
SMILESO=C1CSc2ccc(CNC(=O)c3cccc(F)c3)cc2N1
InChIInChI=1S/C16H13FN2O2S/c17-12-3-1-2-11(7-12)16(21)18-8-10-4-5-14-13(6-10)19-15(20)9-22-14/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKeyHUVNGBVGFLALFH-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.80
Rot. Bonds3

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

3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide (PubChem CID 110784744) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
PubChem CID110784744
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
SMILESO=C1CSc2ccc(CNC(=O)c3cccc(F)c3)cc2N1
InChIInChI=1S/C16H13FN2O2S/c17-12-3-1-2-11(7-12)16(21)18-8-10-4-5-14-13(6-10)19-15(20)9-22-14/h1-7H,8-9H2,(H,18,21)(H,19,20)
InChIKeyHUVNGBVGFLALFH-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
CID 110784738
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803
3-oxo-N-(1H-pyrazol-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 60736157
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 115152395
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide (CID 110784744) is 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide is O=C1CSc2ccc(CNC(=O)c3cccc(F)c3)cc2N1.
What is the InChIKey of 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide?
The InChIKey is HUVNGBVGFLALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-3-1-2-11(7-12)16(21)18-8-10-4-5-14-13(6-10)19-15(20)9-22-14/h1-7H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of 3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide?
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 2.80, 3 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)methyl]benzamide is sourced from PubChem (CID 110784744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).