(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane

C24H24O5S — CID 100944584

IUPAC(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane
SMILESCOc1ccc([C@H]2O[C@H](c3ccccc3)C[C@@H]2S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H24O5S/c1-27-18-13-14-20(22(15-18)28-2)24-23(30(25,26)19-11-7-4-8-12-19)16-21(29-24)17-9-5-3-6-10-17/h3-15,21,23-24H,16H2,1-2H3/t21-,23-,24+/m0/s1
InChIKeyKETFRAFWRSVIFI-OEMFJLHTSA-N
MW424.52 g/mol
LogP4.75
Rot. Bonds6

About (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane

(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane (PubChem CID 100944584) has the molecular formula C24H24O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane.

Molecular Properties

Compound Name(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane
PubChem CID100944584
Molecular FormulaC24H24O5S
Molecular Weight424.52 g/mol
Exact Mass424.13
IUPAC Name(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane
SMILESCOc1ccc([C@H]2O[C@H](c3ccccc3)C[C@@H]2S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H24O5S/c1-27-18-13-14-20(22(15-18)28-2)24-23(30(25,26)19-11-7-4-8-12-19)16-21(29-24)17-9-5-3-6-10-17/h3-15,21,23-24H,16H2,1-2H3/t21-,23-,24+/m0/s1
InChIKeyKETFRAFWRSVIFI-OEMFJLHTSA-N
XLogP4.75
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(benzenesulfonyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 74340992
4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369024
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
CID 110740481
3-(benzenesulfonyl)-1,1-dihydroxy-5-methoxy-2,3-dihydro-1-benzothiophene
CID 70000074
7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 102056354
(3R,4S)-3-(benzenesulfonyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 101255253
1-(benzenesulfonyl)-N-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681897
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
CID 11131920
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane?
The IUPAC name of (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane (CID 100944584) is (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane.
What is the SMILES notation for (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane?
The canonical SMILES for (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane is COc1ccc([C@H]2O[C@H](c3ccccc3)C[C@@H]2S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane?
The InChIKey is KETFRAFWRSVIFI-OEMFJLHTSA-N. The full InChI is InChI=1S/C24H24O5S/c1-27-18-13-14-20(22(15-18)28-2)24-23(30(25,26)19-11-7-4-8-12-19)16-21(29-24)17-9-5-3-6-10-17/h3-15,21,23-24H,16H2,1-2H3/t21-,23-,24+/m0/s1.
What are the key properties of (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane?
(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane has a molecular weight of 424.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane is sourced from PubChem (CID 100944584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).