benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate

C18H15FO6S — CID 10317486

IUPACbenzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)OCc2ccccc2)(S(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C18H15FO6S/c19-14-6-8-15(9-7-14)26(22,23)18(11-10-16(20)25-18)17(21)24-12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeySSLOXMWMVVVAGW-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.38
Rot. Bonds5

About benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate

benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate (PubChem CID 10317486) has the molecular formula C18H15FO6S and a molecular weight of 378.38 g/mol. Its IUPAC name is benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
PubChem CID10317486
Molecular FormulaC18H15FO6S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Namebenzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)OCc2ccccc2)(S(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C18H15FO6S/c19-14-6-8-15(9-7-14)26(22,23)18(11-10-16(20)25-18)17(21)24-12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeySSLOXMWMVVVAGW-UHFFFAOYSA-N
XLogP2.38
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
The IUPAC name of benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate (CID 10317486) is benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate.
What is the SMILES notation for benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
The canonical SMILES for benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate is O=C1CCC(C(=O)OCc2ccccc2)(S(=O)(=O)c2ccc(F)cc2)O1.
What is the InChIKey of benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
The InChIKey is SSLOXMWMVVVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO6S/c19-14-6-8-15(9-7-14)26(22,23)18(11-10-16(20)25-18)17(21)24-12-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate?
benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 10317486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).