2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane

C17H16F2O4S — CID 10522069

IUPAC2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane
SMILESO=S(=O)(c1ccccc1)C(c1ccccc1)C(F)(F)C1OCCO1
InChIInChI=1S/C17H16F2O4S/c18-17(19,16-22-11-12-23-16)15(13-7-3-1-4-8-13)24(20,21)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyHXFDLSQOJDARPS-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane

2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane (PubChem CID 10522069) has the molecular formula C17H16F2O4S and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane
PubChem CID10522069
Molecular FormulaC17H16F2O4S
Molecular Weight354.37 g/mol
Exact Mass354.07
IUPAC Name2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane
SMILESO=S(=O)(c1ccccc1)C(c1ccccc1)C(F)(F)C1OCCO1
InChIInChI=1S/C17H16F2O4S/c18-17(19,16-22-11-12-23-16)15(13-7-3-1-4-8-13)24(20,21)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyHXFDLSQOJDARPS-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane (CID 10522069) is 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane is O=S(=O)(c1ccccc1)C(c1ccccc1)C(F)(F)C1OCCO1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane?
The InChIKey is HXFDLSQOJDARPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O4S/c18-17(19,16-22-11-12-23-16)15(13-7-3-1-4-8-13)24(20,21)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane?
2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane has a molecular weight of 354.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane is sourced from PubChem (CID 10522069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).