(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine

C23H24N2O2S — CID 132992661

IUPAC(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
SMILESCc1ccc(N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-18-8-12-21(13-9-18)25-17-24(16-23(25)20-6-4-3-5-7-20)28(26,27)22-14-10-19(2)11-15-22/h3-15,23H,16-17H2,1-2H3/t23-/m0/s1
InChIKeyUAJPIBUUSGIRAT-QHCPKHFHSA-N
MW392.52 g/mol
LogP4.51
Rot. Bonds4

About (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine

(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine (PubChem CID 132992661) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine.

Molecular Properties

Compound Name(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
PubChem CID132992661
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
SMILESCc1ccc(N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-18-8-12-21(13-9-18)25-17-24(16-23(25)20-6-4-3-5-7-20)28(26,27)22-14-10-19(2)11-15-22/h3-15,23H,16-17H2,1-2H3/t23-/m0/s1
InChIKeyUAJPIBUUSGIRAT-QHCPKHFHSA-N
XLogP4.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992749
(4R)-3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992660
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine
CID 162406799
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765992
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine?
The IUPAC name of (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine (CID 132992661) is (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine.
What is the SMILES notation for (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine?
The canonical SMILES for (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine is Cc1ccc(N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine?
The InChIKey is UAJPIBUUSGIRAT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-18-8-12-21(13-9-18)25-17-24(16-23(25)20-6-4-3-5-7-20)28(26,27)22-14-10-19(2)11-15-22/h3-15,23H,16-17H2,1-2H3/t23-/m0/s1.
What are the key properties of (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine?
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine has a molecular weight of 392.52 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine is sourced from PubChem (CID 132992661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).