2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one

C15H10ClNOS — CID 4287050

IUPAC2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2SC1=Cc1ccccc1Cl
InChIInChI=1S/C15H10ClNOS/c16-11-6-2-1-5-10(11)9-14-15(18)17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18)
InChIKeyJQPYCRYRUSBLPR-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.43
Rot. Bonds1

About 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one

2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one (PubChem CID 4287050) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
PubChem CID4287050
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2SC1=Cc1ccccc1Cl
InChIInChI=1S/C15H10ClNOS/c16-11-6-2-1-5-10(11)9-14-15(18)17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18)
InChIKeyJQPYCRYRUSBLPR-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 2302262
(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(2E)-N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46373944
2-[(4-methylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4278965
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(2Z,5Z)-5-[(2-chlorophenyl)methylidene]-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887753
2-(cyclopenta-1,4-dien-1-ylmethylidene)-4H-1,4-benzothiazin-3-one
CID 90983657
(2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 126113711
(2Z)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-4H-1,4-benzothiazin-3-one
CID 126103856
(2E)-2-(ethoxymethylidene)-4H-1,4-benzothiazin-3-one
CID 20678291
(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
(2E)-2-(2H-pyrrol-4-ylmethylidene)-4H-1,4-benzothiazin-3-one
CID 23574520

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one (CID 4287050) is 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one is O=C1Nc2ccccc2SC1=Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The InChIKey is JQPYCRYRUSBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-11-6-2-1-5-10(11)9-14-15(18)17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one has a molecular weight of 287.77 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 4287050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).