ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate

C20H22O5S — CID 15503154

IUPACethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate
SMILESCCOC(=O)CC1OC(c2ccccc2)CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22O5S/c1-2-24-20(21)14-18-19(26(22,23)16-11-7-4-8-12-16)13-17(25-18)15-9-5-3-6-10-15/h3-12,17-19H,2,13-14H2,1H3
InChIKeyCYSWIUHYDDTNBY-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.31
Rot. Bonds6

About ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate

ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate (PubChem CID 15503154) has the molecular formula C20H22O5S and a molecular weight of 374.46 g/mol. Its IUPAC name is ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate
PubChem CID15503154
Molecular FormulaC20H22O5S
Molecular Weight374.46 g/mol
Exact Mass374.12
IUPAC Nameethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate
SMILESCCOC(=O)CC1OC(c2ccccc2)CC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22O5S/c1-2-24-20(21)14-18-19(26(22,23)16-11-7-4-8-12-16)13-17(25-18)15-9-5-3-6-10-15/h3-12,17-19H,2,13-14H2,1H3
InChIKeyCYSWIUHYDDTNBY-UHFFFAOYSA-N
XLogP3.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate 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

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
3-Benzyl-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 10108931
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
Methyl 4-[({3-[(4-methylphenyl)sulfonyl]propanoyl}oxy)methyl]benzoate
CID 1303299
Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062272
Tetramic acid, 72
CID 91899482
(4-Oxo-4-phenylbutyl) 3-methylsulfonylbenzoate
CID 8898510
(4-Methylsulfanylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24325396
(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
CID 11748209
(E)-1-(4-fluorophenyl)-7-(phenylsulfonyl)hept-5-en-3-yl benzoate
CID 163359661
Methyl 2,2-diphenyl-1,4-oxathiane-3-carboxylate
CID 86244838
[4-(Benzenesulfonyl)-1-phenyldecan-3-yl] benzoate
CID 101692197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate (CID 15503154) is ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate is CCOC(=O)CC1OC(c2ccccc2)CC1S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate?
The InChIKey is CYSWIUHYDDTNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5S/c1-2-24-20(21)14-18-19(26(22,23)16-11-7-4-8-12-16)13-17(25-18)15-9-5-3-6-10-15/h3-12,17-19H,2,13-14H2,1H3.
What are the key properties of ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate?
ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate has a molecular weight of 374.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(benzenesulfonyl)-5-phenyloxolan-2-yl]acetate is sourced from PubChem (CID 15503154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).