5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one

C10H10O5S — CID 18984020

IUPAC5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one
SMILESO=C1OCOC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O5S/c11-10-9(14-7-15-10)6-16(12,13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyPFWNSILUCGMLNC-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.36
Rot. Bonds3

About 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one

5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one (PubChem CID 18984020) has the molecular formula C10H10O5S and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one
PubChem CID18984020
Molecular FormulaC10H10O5S
Molecular Weight242.25 g/mol
Exact Mass242.02
IUPAC Name5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one
SMILESO=C1OCOC1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O5S/c11-10-9(14-7-15-10)6-16(12,13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyPFWNSILUCGMLNC-UHFFFAOYSA-N
XLogP0.36
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Propanoic acid, 2-oxo-3-(phenylsulfonyl)-, ethyl ester
CID 3042010
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
(2S,5R)-2-tert-butyl-5-[(4-fluorophenyl)sulfonylmethyl]-5-methyl-1,3-dioxolan-4-one
CID 162398125
1,3-Dioxolane, 2-methyl-2-[2-(phenylsulfonyl)ethyl]-
CID 12222743
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
4-[Difluoro(phenylsulfonyl)methyl]-1,3-dioxolane-2-one
CID 101104370
Methyl 4-(benzenesulfonyl)-2,2-dimethoxypentanoate
CID 10870810
[(2R)-4-(benzenesulfonyl)-1-ethoxycarbonyloxybutan-2-yl] ethyl carbonate
CID 11337799
[2-(2-Methoxyethoxymethoxy)cyclopropyl]sulfonylbenzene
CID 13467763
(4R)-4-[2-(benzenesulfonyl)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 102189636

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one?
The IUPAC name of 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one (CID 18984020) is 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one?
The canonical SMILES for 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one is O=C1OCOC1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one?
The InChIKey is PFWNSILUCGMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5S/c11-10-9(14-7-15-10)6-16(12,13)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one?
5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one has a molecular weight of 242.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 18984020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).