1,3-bis-(4-methylphenyl)sulfonylimidazolidine

C17H20N2O4S2 — CID 1354623

IUPAC1,3-bis-(4-methylphenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-14-3-7-16(8-4-14)24(20,21)18-11-12-19(13-18)25(22,23)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKeyXHECOVDXMQFUEQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.96
Rot. Bonds4

About 1,3-bis-(4-methylphenyl)sulfonylimidazolidine

1,3-bis-(4-methylphenyl)sulfonylimidazolidine (PubChem CID 1354623) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1,3-bis-(4-methylphenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name1,3-bis-(4-methylphenyl)sulfonylimidazolidine
PubChem CID1354623
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name1,3-bis-(4-methylphenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-14-3-7-16(8-4-14)24(20,21)18-11-12-19(13-18)25(22,23)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKeyXHECOVDXMQFUEQ-UHFFFAOYSA-N
XLogP1.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis-(4-methylphenyl)sulfonylimidazolidine?
The IUPAC name of 1,3-bis-(4-methylphenyl)sulfonylimidazolidine (CID 1354623) is 1,3-bis-(4-methylphenyl)sulfonylimidazolidine.
What is the SMILES notation for 1,3-bis-(4-methylphenyl)sulfonylimidazolidine?
The canonical SMILES for 1,3-bis-(4-methylphenyl)sulfonylimidazolidine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1,3-bis-(4-methylphenyl)sulfonylimidazolidine?
The InChIKey is XHECOVDXMQFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-14-3-7-16(8-4-14)24(20,21)18-11-12-19(13-18)25(22,23)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3.
What are the key properties of 1,3-bis-(4-methylphenyl)sulfonylimidazolidine?
1,3-bis-(4-methylphenyl)sulfonylimidazolidine has a molecular weight of 380.49 g/mol, XLogP of 1.96, 4 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)sulfonylimidazolidine is sourced from PubChem (CID 1354623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).