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

C19H19N3O4S — CID 121160153

IUPAC3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C19H19N3O4S/c23-18-12-20-19(24)22(18)16-9-10-21(13-16)27(25,26)17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H,20,24)
InChIKeyOHEPYQNHFDLJEY-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.67
Rot. Bonds4

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

3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121160153) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121160153
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C19H19N3O4S/c23-18-12-20-19(24)22(18)16-9-10-21(13-16)27(25,26)17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H,20,24)
InChIKeyOHEPYQNHFDLJEY-UHFFFAOYSA-N
XLogP1.67
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.67
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-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159666
3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160139
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-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159658
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160104
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160117
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121160153) is 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is OHEPYQNHFDLJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18-12-20-19(24)22(18)16-9-10-21(13-16)27(25,26)17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H,20,24).
What are the key properties of 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 385.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).