4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one

C10H8F2O5S — CID 101104370

IUPAC4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C10H8F2O5S/c11-10(12,8-6-16-9(13)17-8)18(14,15)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyPPBGXFFNMISVGU-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.59
Rot. Bonds3

About 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one

4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one (PubChem CID 101104370) has the molecular formula C10H8F2O5S and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one
PubChem CID101104370
Molecular FormulaC10H8F2O5S
Molecular Weight278.23 g/mol
Exact Mass278.01
IUPAC Name4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C10H8F2O5S/c11-10(12,8-6-16-9(13)17-8)18(14,15)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyPPBGXFFNMISVGU-UHFFFAOYSA-N
XLogP1.59
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one (CID 101104370) is 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one is O=C1OCC(C(F)(F)S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one?
The InChIKey is PPBGXFFNMISVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O5S/c11-10(12,8-6-16-9(13)17-8)18(14,15)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one?
4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one has a molecular weight of 278.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(difluoro)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 101104370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).