7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide

C17H12F4N2O2S — CID 56629241

IUPAC7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)Sc2cc(F)ccc21
InChIInChI=1S/C17H12F4N2O2S/c1-23-12-7-4-10(18)8-13(12)26-14(16(23)25)15(24)22-11-5-2-9(3-6-11)17(19,20)21/h2-8,14H,1H3,(H,22,24)
InChIKeyYFVQTILRBIUNLU-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.92
Rot. Bonds2

About 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide

7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide (PubChem CID 56629241) has the molecular formula C17H12F4N2O2S and a molecular weight of 384.35 g/mol. Its IUPAC name is 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide
PubChem CID56629241
Molecular FormulaC17H12F4N2O2S
Molecular Weight384.35 g/mol
Exact Mass384.06
IUPAC Name7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)Sc2cc(F)ccc21
InChIInChI=1S/C17H12F4N2O2S/c1-23-12-7-4-10(18)8-13(12)26-14(16(23)25)15(24)22-11-5-2-9(3-6-11)17(19,20)21/h2-8,14H,1H3,(H,22,24)
InChIKeyYFVQTILRBIUNLU-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-7-methoxy-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56608041
1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 70595319
4-hydroxy-1-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 139526306
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56624581
(3S,4S)-4-(3,5-difluorophenyl)-1-methyl-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411892
7-(2-hydroxypropan-2-yl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 116994693
1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 163405266
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-3H-indol-2-one
CID 102339891
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 110860923
1-(2,4-dichlorophenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71955816

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide (CID 56629241) is 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide is CN1C(=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)Sc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide?
The InChIKey is YFVQTILRBIUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2S/c1-23-12-7-4-10(18)8-13(12)26-14(16(23)25)15(24)22-11-5-2-9(3-6-11)17(19,20)21/h2-8,14H,1H3,(H,22,24).
What are the key properties of 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide?
7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 56629241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).