(2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate

C15H15F2NO8S2 — CID 118906601

IUPAC(2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate
SMILESC=Cc1ccc(S(=O)(=O)N(C)S(=O)(=O)C(F)(F)C(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C15H15F2NO8S2/c1-3-10-4-6-11(7-5-10)27(21,22)18(2)28(23,24)15(16,17)14(20)26-12-8-9-25-13(12)19/h3-7,12H,1,8-9H2,2H3
InChIKeyMFRLCXBNHLZXBS-UHFFFAOYSA-N
MW439.41 g/mol
LogP0.73
Rot. Bonds7

About (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate

(2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate (PubChem CID 118906601) has the molecular formula C15H15F2NO8S2 and a molecular weight of 439.41 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate
PubChem CID118906601
Molecular FormulaC15H15F2NO8S2
Molecular Weight439.41 g/mol
Exact Mass439.02
IUPAC Name(2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate
SMILESC=Cc1ccc(S(=O)(=O)N(C)S(=O)(=O)C(F)(F)C(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C15H15F2NO8S2/c1-3-10-4-6-11(7-5-10)27(21,22)18(2)28(23,24)15(16,17)14(20)26-12-8-9-25-13(12)19/h3-7,12H,1,8-9H2,2H3
InChIKeyMFRLCXBNHLZXBS-UHFFFAOYSA-N
XLogP0.73
TPSA124.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate (CID 118906601) is (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate is C=Cc1ccc(S(=O)(=O)N(C)S(=O)(=O)C(F)(F)C(=O)OC2CCOC2=O)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate?
The InChIKey is MFRLCXBNHLZXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO8S2/c1-3-10-4-6-11(7-5-10)27(21,22)18(2)28(23,24)15(16,17)14(20)26-12-8-9-25-13(12)19/h3-7,12H,1,8-9H2,2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate?
(2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate has a molecular weight of 439.41 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(4-ethenylphenyl)sulfonyl-methylsulfamoyl]-2,2-difluoroacetate is sourced from PubChem (CID 118906601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).