benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate

C18H14F2O6S — CID 10408423

IUPACbenzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)OCc2ccccc2)(S(=O)(=O)c2ccc(F)cc2F)O1
InChIInChI=1S/C18H14F2O6S/c19-13-6-7-15(14(20)10-13)27(23,24)18(9-8-16(21)26-18)17(22)25-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyUWNQHLVROJTUSO-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.52
Rot. Bonds5

About benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate

benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate (PubChem CID 10408423) has the molecular formula C18H14F2O6S and a molecular weight of 396.37 g/mol. Its IUPAC name is benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
PubChem CID10408423
Molecular FormulaC18H14F2O6S
Molecular Weight396.37 g/mol
Exact Mass396.05
IUPAC Namebenzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)OCc2ccccc2)(S(=O)(=O)c2ccc(F)cc2F)O1
InChIInChI=1S/C18H14F2O6S/c19-13-6-7-15(14(20)10-13)27(23,24)18(9-8-16(21)26-18)17(22)25-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyUWNQHLVROJTUSO-UHFFFAOYSA-N
XLogP2.52
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
The IUPAC name of benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate (CID 10408423) is benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate.
What is the SMILES notation for benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
The canonical SMILES for benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate is O=C1CCC(C(=O)OCc2ccccc2)(S(=O)(=O)c2ccc(F)cc2F)O1.
What is the InChIKey of benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
The InChIKey is UWNQHLVROJTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O6S/c19-13-6-7-15(14(20)10-13)27(23,24)18(9-8-16(21)26-18)17(22)25-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate has a molecular weight of 396.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 10408423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).