7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one

C15H13NO2S — CID 58828750

IUPAC7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(C(O)c3ccccc3)ccc2N1
InChIInChI=1S/C15H13NO2S/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8,15,18H,9H2,(H,16,17)
InChIKeyXBZYWLUHWUKDPY-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.81
Rot. Bonds2

About 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one

7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one (PubChem CID 58828750) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one
PubChem CID58828750
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(C(O)c3ccccc3)ccc2N1
InChIInChI=1S/C15H13NO2S/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8,15,18H,9H2,(H,16,17)
InChIKeyXBZYWLUHWUKDPY-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one (CID 58828750) is 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one is O=C1CSc2cc(C(O)c3ccccc3)ccc2N1.
What is the InChIKey of 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is XBZYWLUHWUKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8,15,18H,9H2,(H,16,17).
What are the key properties of 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one?
7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 271.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hydroxy(phenyl)methyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 58828750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).