1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine

C23H24N2O5S2 — CID 3368587

IUPAC1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine
SMILESCOc1ccc(C2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-18-8-14-22(15-9-18)32(28,29)25-17-16-24(31(26,27)21-6-4-3-5-7-21)23(25)19-10-12-20(30-2)13-11-19/h3-15,23H,16-17H2,1-2H3
InChIKeyUZZCNMKDEIOIIK-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.40
Rot. Bonds6

About 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine

1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine (PubChem CID 3368587) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine
PubChem CID3368587
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine
SMILESCOc1ccc(C2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-18-8-14-22(15-9-18)32(28,29)25-17-16-24(31(26,27)21-6-4-3-5-7-21)23(25)19-10-12-20(30-2)13-11-19/h3-15,23H,16-17H2,1-2H3
InChIKeyUZZCNMKDEIOIIK-UHFFFAOYSA-N
XLogP3.40
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine?
The IUPAC name of 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine (CID 3368587) is 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine is COc1ccc(C2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine?
The InChIKey is UZZCNMKDEIOIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-18-8-14-22(15-9-18)32(28,29)25-17-16-24(31(26,27)21-6-4-3-5-7-21)23(25)19-10-12-20(30-2)13-11-19/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine?
1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine has a molecular weight of 472.59 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidine is sourced from PubChem (CID 3368587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).