4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one

C19H20O5S — CID 11760183

IUPAC4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCc1ccc(S(=O)(=O)C2CC(=O)OC2COCc2ccccc2)cc1
InChIInChI=1S/C19H20O5S/c1-14-7-9-16(10-8-14)25(21,22)18-11-19(20)24-17(18)13-23-12-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3
InChIKeyAUEODGMCODPZFU-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.67
Rot. Bonds6

About 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one

4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 11760183) has the molecular formula C19H20O5S and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID11760183
Molecular FormulaC19H20O5S
Molecular Weight360.43 g/mol
Exact Mass360.10
IUPAC Name4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCc1ccc(S(=O)(=O)C2CC(=O)OC2COCc2ccccc2)cc1
InChIInChI=1S/C19H20O5S/c1-14-7-9-16(10-8-14)25(21,22)18-11-19(20)24-17(18)13-23-12-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3
InChIKeyAUEODGMCODPZFU-UHFFFAOYSA-N
XLogP2.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one 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
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
Sulfonium, (2-(benzoyloxy)ethyl)methyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062272
2-Fluorobenzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 2221601
(4-Methylsulfanylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 24325396
(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one
CID 11364066
benzyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10469386
[2-(Benzenesulfonyl)-1,2-diphenylethyl] acetate
CID 13265384
Benzyl 2-(benzenesulfonylmethyl)prop-2-enoate
CID 138971099
Benzyl 2-(4-fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
CID 10317486
Benzyl 2-(2,4-difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylate
CID 10408423
Benzyl 2-[(4-methylbenzene-1-sulfonyl)oxy]propanoate
CID 15630389

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one (CID 11760183) is 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one is Cc1ccc(S(=O)(=O)C2CC(=O)OC2COCc2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is AUEODGMCODPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5S/c1-14-7-9-16(10-8-14)25(21,22)18-11-19(20)24-17(18)13-23-12-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one?
4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 360.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 11760183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).