4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide

C8H6FNO3S — CID 131843186

IUPAC4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide
SMILESO=S1(=O)N=C(c2ccc(F)cc2)CO1
InChIInChI=1S/C8H6FNO3S/c9-7-3-1-6(2-4-7)8-5-13-14(11,12)10-8/h1-4H,5H2
InChIKeyTZLVKECLZRMPQG-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.89
Rot. Bonds1

About 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide

4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide (PubChem CID 131843186) has the molecular formula C8H6FNO3S and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide
PubChem CID131843186
Molecular FormulaC8H6FNO3S
Molecular Weight215.20 g/mol
Exact Mass215.01
IUPAC Name4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide
SMILESO=S1(=O)N=C(c2ccc(F)cc2)CO1
InChIInChI=1S/C8H6FNO3S/c9-7-3-1-6(2-4-7)8-5-13-14(11,12)10-8/h1-4H,5H2
InChIKeyTZLVKECLZRMPQG-UHFFFAOYSA-N
XLogP0.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide?
The IUPAC name of 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide (CID 131843186) is 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide.
What is the SMILES notation for 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide?
The canonical SMILES for 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide is O=S1(=O)N=C(c2ccc(F)cc2)CO1.
What is the InChIKey of 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide?
The InChIKey is TZLVKECLZRMPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3S/c9-7-3-1-6(2-4-7)8-5-13-14(11,12)10-8/h1-4H,5H2.
What are the key properties of 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide?
4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide has a molecular weight of 215.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5H-oxathiazole 2,2-dioxide is sourced from PubChem (CID 131843186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).