1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine

C11H16N2O4S2 — CID 3237602

IUPAC1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C11H16N2O4S2/c1-10-3-5-11(6-4-10)19(16,17)13-8-7-12(9-13)18(2,14)15/h3-6H,7-9H2,1-2H3
InChIKeyNDDDMGSZOXUNDX-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine

1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine (PubChem CID 3237602) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
PubChem CID3237602
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C11H16N2O4S2/c1-10-3-5-11(6-4-10)19(16,17)13-8-7-12(9-13)18(2,14)15/h3-6H,7-9H2,1-2H3
InChIKeyNDDDMGSZOXUNDX-UHFFFAOYSA-N
XLogP0.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine (CID 3237602) is 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine is Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
The InChIKey is NDDDMGSZOXUNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-10-3-5-11(6-4-10)19(16,17)13-8-7-12(9-13)18(2,14)15/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine?
1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine has a molecular weight of 304.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine is sourced from PubChem (CID 3237602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).