4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide

C11H10FNO4S — CID 118710151

IUPAC4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide
SMILESCC1=CC(OCc2cccc(F)c2)=NS(=O)(=O)O1
InChIInChI=1S/C11H10FNO4S/c1-8-5-11(13-18(14,15)17-8)16-7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3
InChIKeySFDZJNGLOLLYOG-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.92
Rot. Bonds2

About 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide

4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide (PubChem CID 118710151) has the molecular formula C11H10FNO4S and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide
PubChem CID118710151
Molecular FormulaC11H10FNO4S
Molecular Weight271.27 g/mol
Exact Mass271.03
IUPAC Name4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide
SMILESCC1=CC(OCc2cccc(F)c2)=NS(=O)(=O)O1
InChIInChI=1S/C11H10FNO4S/c1-8-5-11(13-18(14,15)17-8)16-7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3
InChIKeySFDZJNGLOLLYOG-UHFFFAOYSA-N
XLogP1.92
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide (CID 118710151) is 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide is CC1=CC(OCc2cccc(F)c2)=NS(=O)(=O)O1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide?
The InChIKey is SFDZJNGLOLLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4S/c1-8-5-11(13-18(14,15)17-8)16-7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide?
4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide has a molecular weight of 271.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-6-methyloxathiazine 2,2-dioxide is sourced from PubChem (CID 118710151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).