3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione

C20H21N3O4S — CID 121160139

IUPAC3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4C(=O)CNC4=O)C3)cc2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14-2-4-15(5-3-14)16-6-8-18(9-7-16)28(26,27)22-11-10-17(13-22)23-19(24)12-21-20(23)25/h2-9,17H,10-13H2,1H3,(H,21,25)
InChIKeyRAOUMPPIMRDZGB-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.98
Rot. Bonds4

About 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121160139) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121160139
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4C(=O)CNC4=O)C3)cc2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14-2-4-15(5-3-14)16-6-8-18(9-7-16)28(26,27)22-11-10-17(13-22)23-19(24)12-21-20(23)25/h2-9,17H,10-13H2,1H3,(H,21,25)
InChIKeyRAOUMPPIMRDZGB-UHFFFAOYSA-N
XLogP1.98
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160142
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160153
3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159658
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160104
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160117
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121160139) is 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(N4C(=O)CNC4=O)C3)cc2)cc1.
What is the InChIKey of 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is RAOUMPPIMRDZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-2-4-15(5-3-14)16-6-8-18(9-7-16)28(26,27)22-11-10-17(13-22)23-19(24)12-21-20(23)25/h2-9,17H,10-13H2,1H3,(H,21,25).
What are the key properties of 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 399.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).