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

C15H10ClNOS — CID 2302262

IUPAC(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)9-14-15(18)17-12-3-1-2-4-13(12)19-14/h1-9H,(H,17,18)/b14-9+
InChIKeyRSOFQMQXFIUPRQ-NTEUORMPSA-N
MW287.77 g/mol
LogP4.43
Rot. Bonds1

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

(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one (PubChem CID 2302262) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
PubChem CID2302262
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)9-14-15(18)17-12-3-1-2-4-13(12)19-14/h1-9H,(H,17,18)/b14-9+
InChIKeyRSOFQMQXFIUPRQ-NTEUORMPSA-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

2-[(4-methylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4278965
2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4287050
N-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]acetamide
CID 7996424
(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 126101980
2-[4-[(Z)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenoxy]acetonitrile
CID 126115119
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 4307947
2-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 54253248
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 92967150
(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 5476828
(2Z)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 126090554
2-(cyclopenta-1,4-dien-1-ylmethylidene)-4H-1,4-benzothiazin-3-one
CID 90983657
2-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 4275079

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one (CID 2302262) is (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one is O=C1Nc2ccccc2S/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The InChIKey is RSOFQMQXFIUPRQ-NTEUORMPSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-11-7-5-10(6-8-11)9-14-15(18)17-12-3-1-2-4-13(12)19-14/h1-9H,(H,17,18)/b14-9+.
What are the key properties of (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one?
(2E)-2-[(4-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 (2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 2302262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).