7-phenylmethoxy-4H-1,4-benzothiazin-3-one

C15H13NO2S — CID 45257678

IUPAC7-phenylmethoxy-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(OCc3ccccc3)ccc2N1
InChIInChI=1S/C15H13NO2S/c17-15-10-19-14-8-12(6-7-13(14)16-15)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17)
InChIKeyJORISQLHMKNZBT-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.31
Rot. Bonds3

About 7-phenylmethoxy-4H-1,4-benzothiazin-3-one

7-phenylmethoxy-4H-1,4-benzothiazin-3-one (PubChem CID 45257678) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-phenylmethoxy-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-phenylmethoxy-4H-1,4-benzothiazin-3-one
PubChem CID45257678
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name7-phenylmethoxy-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(OCc3ccccc3)ccc2N1
InChIInChI=1S/C15H13NO2S/c17-15-10-19-14-8-12(6-7-13(14)16-15)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17)
InChIKeyJORISQLHMKNZBT-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-phenylmethoxy-4H-1,4-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 7-phenylmethoxy-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-phenylmethoxy-4H-1,4-benzothiazin-3-one (CID 45257678) is 7-phenylmethoxy-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-phenylmethoxy-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-phenylmethoxy-4H-1,4-benzothiazin-3-one is O=C1CSc2cc(OCc3ccccc3)ccc2N1.
What is the InChIKey of 7-phenylmethoxy-4H-1,4-benzothiazin-3-one?
The InChIKey is JORISQLHMKNZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-15-10-19-14-8-12(6-7-13(14)16-15)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17).
What are the key properties of 7-phenylmethoxy-4H-1,4-benzothiazin-3-one?
7-phenylmethoxy-4H-1,4-benzothiazin-3-one has a molecular weight of 271.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 45257678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).