9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide

C18H15NO2S — CID 59572577

IUPAC9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1ccc(N2c3ccccc3S(=O)c3ccoc32)c(C)c1
InChIInChI=1S/C18H15NO2S/c1-12-7-8-14(13(2)11-12)19-15-5-3-4-6-16(15)22(20)17-9-10-21-18(17)19/h3-11H,1-2H3
InChIKeyXAMQLSUPRIPNAY-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.85
Rot. Bonds1

About 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide

9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide (PubChem CID 59572577) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide.

Molecular Properties

Compound Name9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
PubChem CID59572577
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1ccc(N2c3ccccc3S(=O)c3ccoc32)c(C)c1
InChIInChI=1S/C18H15NO2S/c1-12-7-8-14(13(2)11-12)19-15-5-3-4-6-16(15)22(20)17-9-10-21-18(17)19/h3-11H,1-2H3
InChIKeyXAMQLSUPRIPNAY-UHFFFAOYSA-N
XLogP4.85
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The IUPAC name of 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide (CID 59572577) is 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide.
What is the SMILES notation for 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The canonical SMILES for 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide is Cc1ccc(N2c3ccccc3S(=O)c3ccoc32)c(C)c1.
What is the InChIKey of 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
The InChIKey is XAMQLSUPRIPNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-12-7-8-14(13(2)11-12)19-15-5-3-4-6-16(15)22(20)17-9-10-21-18(17)19/h3-11H,1-2H3.
What are the key properties of 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide?
9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide has a molecular weight of 309.39 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethylphenyl)furo[3,2-b][1,4]benzothiazine 4-oxide is sourced from PubChem (CID 59572577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).