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

C19H17Cl2N3O4S — CID 121160142

IUPAC3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C19H17Cl2N3O4S/c20-16-6-3-13(9-17(16)21)12-1-4-15(5-2-12)29(27,28)23-8-7-14(11-23)24-18(25)10-22-19(24)26/h1-6,9,14H,7-8,10-11H2,(H,22,26)
InChIKeyONICVSXPFCCXNH-UHFFFAOYSA-N
MW454.34 g/mol
LogP2.98
Rot. Bonds4

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

3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121160142) has the molecular formula C19H17Cl2N3O4S and a molecular weight of 454.34 g/mol. Its IUPAC name is 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121160142
Molecular FormulaC19H17Cl2N3O4S
Molecular Weight454.34 g/mol
Exact Mass453.03
IUPAC Name3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1
InChIInChI=1S/C19H17Cl2N3O4S/c20-16-6-3-13(9-17(16)21)12-1-4-15(5-2-12)29(27,28)23-8-7-14(11-23)24-18(25)10-22-19(24)26/h1-6,9,14H,7-8,10-11H2,(H,22,26)
InChIKeyONICVSXPFCCXNH-UHFFFAOYSA-N
XLogP2.98
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 52.98
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-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160139
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-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160117
3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159658
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160104
3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159666
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121160142) is 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1.
What is the InChIKey of 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is ONICVSXPFCCXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4S/c20-16-6-3-13(9-17(16)21)12-1-4-15(5-2-12)29(27,28)23-8-7-14(11-23)24-18(25)10-22-19(24)26/h1-6,9,14H,7-8,10-11H2,(H,22,26).
What are the key properties of 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 454.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).