2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one

C15H13NO2S — CID 23317443

IUPAC2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one
SMILESCC1C(=O)N(c2ccccc2O)Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-10-11-6-2-5-9-14(11)19-16(15(10)18)12-7-3-4-8-13(12)17/h2-10,17H,1H3
InChIKeyLNXZICFQLZFNCD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.55
Rot. Bonds1

About 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one

2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one (PubChem CID 23317443) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one
PubChem CID23317443
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one
SMILESCC1C(=O)N(c2ccccc2O)Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-10-11-6-2-5-9-14(11)19-16(15(10)18)12-7-3-4-8-13(12)17/h2-10,17H,1H3
InChIKeyLNXZICFQLZFNCD-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one?
The IUPAC name of 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one (CID 23317443) is 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one is CC1C(=O)N(c2ccccc2O)Sc2ccccc21.
What is the InChIKey of 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one?
The InChIKey is LNXZICFQLZFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-11-6-2-5-9-14(11)19-16(15(10)18)12-7-3-4-8-13(12)17/h2-10,17H,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one?
2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one has a molecular weight of 271.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4-methyl-4H-1,2-benzothiazin-3-one is sourced from PubChem (CID 23317443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).