4-phenyl-4H-1,2-benzothiazin-3-one

C14H11NOS — CID 154507952

IUPAC4-phenyl-4H-1,2-benzothiazin-3-one
SMILESO=C1NSc2ccccc2C1c1ccccc1
InChIInChI=1S/C14H11NOS/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-15-14/h1-9,13H,(H,15,16)
InChIKeyUURNCSKOCWUZOU-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.96
Rot. Bonds1

About 4-phenyl-4H-1,2-benzothiazin-3-one

4-phenyl-4H-1,2-benzothiazin-3-one (PubChem CID 154507952) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-phenyl-4H-1,2-benzothiazin-3-one.

Molecular Properties

Compound Name4-phenyl-4H-1,2-benzothiazin-3-one
PubChem CID154507952
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name4-phenyl-4H-1,2-benzothiazin-3-one
SMILESO=C1NSc2ccccc2C1c1ccccc1
InChIInChI=1S/C14H11NOS/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-15-14/h1-9,13H,(H,15,16)
InChIKeyUURNCSKOCWUZOU-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-4H-1,2-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4H-1,2-benzothiazin-3-one?
The IUPAC name of 4-phenyl-4H-1,2-benzothiazin-3-one (CID 154507952) is 4-phenyl-4H-1,2-benzothiazin-3-one.
What is the SMILES notation for 4-phenyl-4H-1,2-benzothiazin-3-one?
The canonical SMILES for 4-phenyl-4H-1,2-benzothiazin-3-one is O=C1NSc2ccccc2C1c1ccccc1.
What is the InChIKey of 4-phenyl-4H-1,2-benzothiazin-3-one?
The InChIKey is UURNCSKOCWUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-15-14/h1-9,13H,(H,15,16).
What are the key properties of 4-phenyl-4H-1,2-benzothiazin-3-one?
4-phenyl-4H-1,2-benzothiazin-3-one has a molecular weight of 241.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4H-1,2-benzothiazin-3-one is sourced from PubChem (CID 154507952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).