N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C22H15F3N2O2S — CID 37015144

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C1CSc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2N1
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)14-7-5-13(6-8-14)16-3-1-2-4-17(16)21(29)26-15-9-10-19-18(11-15)27-20(28)12-30-19/h1-11H,12H2,(H,26,29)(H,27,28)
InChIKeyOTBRRCBBGLLFSZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.67
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 37015144) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID37015144
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C1CSc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2N1
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)14-7-5-13(6-8-14)16-3-1-2-4-17(16)21(29)26-15-9-10-19-18(11-15)27-20(28)12-30-19/h1-11H,12H2,(H,26,29)(H,27,28)
InChIKeyOTBRRCBBGLLFSZ-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 30807726
2,5-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015355
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 2536454
N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944299
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
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
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 37015144) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is O=C1CSc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OTBRRCBBGLLFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c23-22(24,25)14-7-5-13(6-8-14)16-3-1-2-4-17(16)21(29)26-15-9-10-19-18(11-15)27-20(28)12-30-19/h1-11H,12H2,(H,26,29)(H,27,28).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 428.44 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 37015144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).