1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine

C23H24N2O4S2 — CID 2845056

IUPAC1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-18-8-12-21(13-9-18)30(26,27)24-16-17-25(23(24)20-6-4-3-5-7-20)31(28,29)22-14-10-19(2)11-15-22/h3-15,23H,16-17H2,1-2H3
InChIKeyAKCCMDDQDPAJER-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.70
Rot. Bonds5

About 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine

1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine (PubChem CID 2845056) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine.

Molecular Properties

Compound Name1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
PubChem CID2845056
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-18-8-12-21(13-9-18)30(26,27)24-16-17-25(23(24)20-6-4-3-5-7-20)31(28,29)22-14-10-19(2)11-15-22/h3-15,23H,16-17H2,1-2H3
InChIKeyAKCCMDDQDPAJER-UHFFFAOYSA-N
XLogP3.70
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine?
The IUPAC name of 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine (CID 2845056) is 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine.
What is the SMILES notation for 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine?
The canonical SMILES for 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccccc2)cc1.
What is the InChIKey of 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine?
The InChIKey is AKCCMDDQDPAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-18-8-12-21(13-9-18)30(26,27)24-16-17-25(23(24)20-6-4-3-5-7-20)31(28,29)22-14-10-19(2)11-15-22/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine?
1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine has a molecular weight of 456.59 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine is sourced from PubChem (CID 2845056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).