4-phenyl-5H-oxathiazole 2,2-dioxide

C8H7NO3S — CID 46176604

IUPAC4-phenyl-5H-oxathiazole 2,2-dioxide
SMILESO=S1(=O)N=C(c2ccccc2)CO1
InChIInChI=1S/C8H7NO3S/c10-13(11)9-8(6-12-13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyJVJUSNWIRNUXEO-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.75
Rot. Bonds1

About 4-phenyl-5H-oxathiazole 2,2-dioxide

4-phenyl-5H-oxathiazole 2,2-dioxide (PubChem CID 46176604) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 4-phenyl-5H-oxathiazole 2,2-dioxide.

Molecular Properties

Compound Name4-phenyl-5H-oxathiazole 2,2-dioxide
PubChem CID46176604
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name4-phenyl-5H-oxathiazole 2,2-dioxide
SMILESO=S1(=O)N=C(c2ccccc2)CO1
InChIInChI=1S/C8H7NO3S/c10-13(11)9-8(6-12-13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyJVJUSNWIRNUXEO-UHFFFAOYSA-N
XLogP0.75
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5H-oxathiazole 2,2-dioxide?
The IUPAC name of 4-phenyl-5H-oxathiazole 2,2-dioxide (CID 46176604) is 4-phenyl-5H-oxathiazole 2,2-dioxide.
What is the SMILES notation for 4-phenyl-5H-oxathiazole 2,2-dioxide?
The canonical SMILES for 4-phenyl-5H-oxathiazole 2,2-dioxide is O=S1(=O)N=C(c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-5H-oxathiazole 2,2-dioxide?
The InChIKey is JVJUSNWIRNUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c10-13(11)9-8(6-12-13)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 4-phenyl-5H-oxathiazole 2,2-dioxide?
4-phenyl-5H-oxathiazole 2,2-dioxide has a molecular weight of 197.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5H-oxathiazole 2,2-dioxide is sourced from PubChem (CID 46176604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).