2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane

C11H14O4S — CID 11096791

IUPAC2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane
SMILESO=S(=O)(CCC1OCCO1)c1ccccc1
InChIInChI=1S/C11H14O4S/c12-16(13,10-4-2-1-3-5-10)9-6-11-14-7-8-15-11/h1-5,11H,6-9H2
InChIKeyKKVFFPVBIMFUEZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.22
Rot. Bonds4

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

2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane (PubChem CID 11096791) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane
PubChem CID11096791
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane
SMILESO=S(=O)(CCC1OCCO1)c1ccccc1
InChIInChI=1S/C11H14O4S/c12-16(13,10-4-2-1-3-5-10)9-6-11-14-7-8-15-11/h1-5,11H,6-9H2
InChIKeyKKVFFPVBIMFUEZ-UHFFFAOYSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethoxyethylsulfonylbenzene
CID 44377531
2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116
1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-
CID 12222743
[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
CID 12842285
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane (CID 11096791) is 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane is O=S(=O)(CCC1OCCO1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane?
The InChIKey is KKVFFPVBIMFUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c12-16(13,10-4-2-1-3-5-10)9-6-11-14-7-8-15-11/h1-5,11H,6-9H2.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane?
2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane has a molecular weight of 242.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 11096791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).