6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide

C8H7NO4S — CID 132608463

IUPAC6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCOc1ccc2c(c1)C=NS(=O)(=O)O2
InChIInChI=1S/C8H7NO4S/c1-12-7-2-3-8-6(4-7)5-9-14(10,11)13-8/h2-5H,1H3
InChIKeyWVWXSJPYYRHPDH-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.75
Rot. Bonds1

About 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide

6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 132608463) has the molecular formula C8H7NO4S and a molecular weight of 213.21 g/mol. Its IUPAC name is 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID132608463
Molecular FormulaC8H7NO4S
Molecular Weight213.21 g/mol
Exact Mass213.01
IUPAC Name6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESCOc1ccc2c(c1)C=NS(=O)(=O)O2
InChIInChI=1S/C8H7NO4S/c1-12-7-2-3-8-6(4-7)5-9-14(10,11)13-8/h2-5H,1H3
InChIKeyWVWXSJPYYRHPDH-UHFFFAOYSA-N
XLogP0.75
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 132608463) is 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide is COc1ccc2c(c1)C=NS(=O)(=O)O2.
What is the InChIKey of 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is WVWXSJPYYRHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S/c1-12-7-2-3-8-6(4-7)5-9-14(10,11)13-8/h2-5H,1H3.
What are the key properties of 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide?
6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 213.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 132608463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).