N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H12F2N2O3S — CID 51145660

IUPACN-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2N1
InChIInChI=1S/C16H12F2N2O3S/c17-16(18)23-12-4-2-1-3-10(12)20-15(22)9-5-6-13-11(7-9)19-14(21)8-24-13/h1-7,16H,8H2,(H,19,21)(H,20,22)
InChIKeyZNKKJNVHPORWKE-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51145660) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51145660
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2N1
InChIInChI=1S/C16H12F2N2O3S/c17-16(18)23-12-4-2-1-3-10(12)20-15(22)9-5-6-13-11(7-9)19-14(21)8-24-13/h1-7,16H,8H2,(H,19,21)(H,20,22)
InChIKeyZNKKJNVHPORWKE-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 40616547
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46798733
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
N-[4-(2-methoxyphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42009236
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
[2-(2-methoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292138
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94622938
(2-fluorophenyl) 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 78776780
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51145660) is N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2N1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is ZNKKJNVHPORWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c17-16(18)23-12-4-2-1-3-10(12)20-15(22)9-5-6-13-11(7-9)19-14(21)8-24-13/h1-7,16H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51145660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).