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

C12H16O4S — CID 12842280

IUPAC2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
SMILESCC(CC1OCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O4S/c1-10(9-12-15-7-8-16-12)17(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGOACTUYLYDXYOP-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.61
Rot. Bonds4

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

2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane (PubChem CID 12842280) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
PubChem CID12842280
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
SMILESCC(CC1OCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16O4S/c1-10(9-12-15-7-8-16-12)17(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGOACTUYLYDXYOP-UHFFFAOYSA-N
XLogP1.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
2-(benzenesulfonylmethyl)-1,3-dioxepane
CID 102377373
[1-(benzenesulfonyl)-2-(oxan-4-yl)ethyl]-trimethylgermane
CID 170783673
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
1-bromoethylsulfonylbenzene
CID 13411545
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
CID 11086314
2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
CID 14982487
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane (CID 12842280) is 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane is CC(CC1OCCO1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane?
The InChIKey is GOACTUYLYDXYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-10(9-12-15-7-8-16-12)17(13,14)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane?
2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane has a molecular weight of 256.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane is sourced from PubChem (CID 12842280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).