(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane

C24H24O3S — CID 177499409

IUPAC(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane
SMILESCc1ccc(S(=O)(=O)[C@@H]2C[C@@](C)(c3ccccc3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H24O3S/c1-18-13-15-21(16-14-18)28(25,26)22-17-24(2,20-11-7-4-8-12-20)27-23(22)19-9-5-3-6-10-19/h3-16,22-23H,17H2,1-2H3/t22-,23-,24+/m1/s1
InChIKeyXYQSLXKWFQGFLZ-SMIHKQSGSA-N
MW392.52 g/mol
LogP5.21
Rot. Bonds4

About (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane

(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane (PubChem CID 177499409) has the molecular formula C24H24O3S and a molecular weight of 392.52 g/mol. Its IUPAC name is (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane.

Molecular Properties

Compound Name(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane
PubChem CID177499409
Molecular FormulaC24H24O3S
Molecular Weight392.52 g/mol
Exact Mass392.14
IUPAC Name(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane
SMILESCc1ccc(S(=O)(=O)[C@@H]2C[C@@](C)(c3ccccc3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H24O3S/c1-18-13-15-21(16-14-18)28(25,26)22-17-24(2,20-11-7-4-8-12-20)27-23(22)19-9-5-3-6-10-19/h3-16,22-23H,17H2,1-2H3/t22-,23-,24+/m1/s1
InChIKeyXYQSLXKWFQGFLZ-SMIHKQSGSA-N
XLogP5.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
propan-2-yl (4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine-2-carboxylate
CID 10739825
(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
CID 11003382
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine
CID 157385773
(1R,5S)-6-(4-methylphenyl)sulfonyl-1-phenyl-8-oxa-6-azabicyclo[3.2.1]octane
CID 122216426
(1S,5R)-3-(4-methylphenyl)sulfonyl-1-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 134928061
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
1-amino-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carboxylic acid
CID 102569182
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 164674840
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane?
The IUPAC name of (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane (CID 177499409) is (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane.
What is the SMILES notation for (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane?
The canonical SMILES for (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane is Cc1ccc(S(=O)(=O)[C@@H]2C[C@@](C)(c3ccccc3)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane?
The InChIKey is XYQSLXKWFQGFLZ-SMIHKQSGSA-N. The full InChI is InChI=1S/C24H24O3S/c1-18-13-15-21(16-14-18)28(25,26)22-17-24(2,20-11-7-4-8-12-20)27-23(22)19-9-5-3-6-10-19/h3-16,22-23H,17H2,1-2H3/t22-,23-,24+/m1/s1.
What are the key properties of (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane?
(2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane has a molecular weight of 392.52 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,5-diphenyloxolane is sourced from PubChem (CID 177499409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).