6-benzoyl-4H-1,4-benzothiazin-3-one

C15H11NO2S — CID 11958353

IUPAC6-benzoyl-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(=O)c3ccccc3)cc2N1
InChIInChI=1S/C15H11NO2S/c17-14-9-19-13-7-6-11(8-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyJWEWZIJPKPACMC-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.96
Rot. Bonds2

About 6-benzoyl-4H-1,4-benzothiazin-3-one

6-benzoyl-4H-1,4-benzothiazin-3-one (PubChem CID 11958353) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-benzoyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-benzoyl-4H-1,4-benzothiazin-3-one
PubChem CID11958353
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name6-benzoyl-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(C(=O)c3ccccc3)cc2N1
InChIInChI=1S/C15H11NO2S/c17-14-9-19-13-7-6-11(8-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyJWEWZIJPKPACMC-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
(2-fluorophenyl) 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 78776780
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 35565242
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
6-(4-chlorobutanoyl)-4H-1,4-benzothiazin-3-one
CID 15590122

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-benzoyl-4H-1,4-benzothiazin-3-one (CID 11958353) is 6-benzoyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-benzoyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-benzoyl-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(C(=O)c3ccccc3)cc2N1.
What is the InChIKey of 6-benzoyl-4H-1,4-benzothiazin-3-one?
The InChIKey is JWEWZIJPKPACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-14-9-19-13-7-6-11(8-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 6-benzoyl-4H-1,4-benzothiazin-3-one?
6-benzoyl-4H-1,4-benzothiazin-3-one has a molecular weight of 269.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 11958353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).