(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine

C22H21NO3S — CID 102473250

IUPAC(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-20(15-13-17)27(24,25)23-21(18-8-4-2-5-9-18)16-26-22(23)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3/t21-,22+/m0/s1
InChIKeyDSRVVJUEAVGILA-FCHUYYIVSA-N
MW379.48 g/mol
LogP4.46
Rot. Bonds4

About (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine

(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine (PubChem CID 102473250) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
PubChem CID102473250
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-20(15-13-17)27(24,25)23-21(18-8-4-2-5-9-18)16-26-22(23)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3/t21-,22+/m0/s1
InChIKeyDSRVVJUEAVGILA-FCHUYYIVSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
CID 134953438
(5S)-5-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]cyclopent-2-en-1-one
CID 11825141
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
CID 86224665
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
The IUPAC name of (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine (CID 102473250) is (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine is Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
The InChIKey is DSRVVJUEAVGILA-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-12-14-20(15-13-17)27(24,25)23-21(18-8-4-2-5-9-18)16-26-22(23)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3/t21-,22+/m0/s1.
What are the key properties of (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine has a molecular weight of 379.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 102473250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).