2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane

C16H16O4S — CID 44630458

IUPAC2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane
SMILESO=S(=O)(Cc1ccccc1C1OCCO1)c1ccccc1
InChIInChI=1S/C16H16O4S/c17-21(18,14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16-19-10-11-20-16/h1-9,16H,10-12H2
InChIKeyANNWDOBNPSVXNI-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.71
Rot. Bonds4

About 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane

2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane (PubChem CID 44630458) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane
PubChem CID44630458
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane
SMILESO=S(=O)(Cc1ccccc1C1OCCO1)c1ccccc1
InChIInChI=1S/C16H16O4S/c17-21(18,14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16-19-10-11-20-16/h1-9,16H,10-12H2
InChIKeyANNWDOBNPSVXNI-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane (CID 44630458) is 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane is O=S(=O)(Cc1ccccc1C1OCCO1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane?
The InChIKey is ANNWDOBNPSVXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c17-21(18,14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16-19-10-11-20-16/h1-9,16H,10-12H2.
What are the key properties of 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane?
2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane has a molecular weight of 304.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonylmethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 44630458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).