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

C20H15NOS — CID 23828720

IUPAC2,2-diphenyl-3H-1,3-benzothiazin-4-one
SMILESO=C1NC(c2ccccc2)(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C20H15NOS/c22-19-17-13-7-8-14-18(17)23-20(21-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeyQWSVDAALRLQPLF-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.42
Rot. Bonds2

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

2,2-diphenyl-3H-1,3-benzothiazin-4-one (PubChem CID 23828720) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 2,2-diphenyl-3H-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2,2-diphenyl-3H-1,3-benzothiazin-4-one
PubChem CID23828720
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name2,2-diphenyl-3H-1,3-benzothiazin-4-one
SMILESO=C1NC(c2ccccc2)(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C20H15NOS/c22-19-17-13-7-8-14-18(17)23-20(21-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeyQWSVDAALRLQPLF-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3H-1,3-benzothiazin-4-one?
The IUPAC name of 2,2-diphenyl-3H-1,3-benzothiazin-4-one (CID 23828720) is 2,2-diphenyl-3H-1,3-benzothiazin-4-one.
What is the SMILES notation for 2,2-diphenyl-3H-1,3-benzothiazin-4-one?
The canonical SMILES for 2,2-diphenyl-3H-1,3-benzothiazin-4-one is O=C1NC(c2ccccc2)(c2ccccc2)Sc2ccccc21.
What is the InChIKey of 2,2-diphenyl-3H-1,3-benzothiazin-4-one?
The InChIKey is QWSVDAALRLQPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c22-19-17-13-7-8-14-18(17)23-20(21-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,22).
What are the key properties of 2,2-diphenyl-3H-1,3-benzothiazin-4-one?
2,2-diphenyl-3H-1,3-benzothiazin-4-one has a molecular weight of 317.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3H-1,3-benzothiazin-4-one is sourced from PubChem (CID 23828720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).