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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Related Compounds

(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46871914
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
(2R,5R)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
CID 46871913
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(trityloxymethyl)-2,5-dihydrofuran
CID 46890905
(2R,5S)-3-ethenylsulfonyl-5-methoxy-2-(phenylmethoxymethyl)-2,5-dihydrofuran
CID 46890957
2-(4-Methylsulfonylphenyl)-1,3-dioxolane
CID 71221830
8-(Benzenesulfonyl)-8-[2-(1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.5]dec-9-ene
CID 377226
2-[2-(Benzenesulfonyl)-1,1-difluoro-2-phenylethyl]-1,3-dioxolane
CID 10522069
2-[3-(4-Ethylsulfonylphenyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3-dioxolane
CID 90219977
[2-[2-(1,3-Dioxolan-2-yl)-6-fluorophenyl]sulfanylphenyl]methyl methanesulfonate
CID 129079464
2-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethylsulfanylmethyl]-2-(4-methylsulfonylphenyl)-1,3-dioxolane
CID 139706500

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).