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

C18H17N3O4S — CID 121159666

IUPAC3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C18H17N3O4S/c22-17-10-19-18(23)21(17)15-11-20(12-15)26(24,25)16-8-4-7-14(9-16)13-5-2-1-3-6-13/h1-9,15H,10-12H2,(H,19,23)
InChIKeyFIRFMPJBKINJJN-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.28
Rot. Bonds4

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

3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159666) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159666
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C18H17N3O4S/c22-17-10-19-18(23)21(17)15-11-20(12-15)26(24,25)16-8-4-7-14(9-16)13-5-2-1-3-6-13/h1-9,15H,10-12H2,(H,19,23)
InChIKeyFIRFMPJBKINJJN-UHFFFAOYSA-N
XLogP1.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160142
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-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
1-(3-phenylphenyl)sulfonyl-1,4-diazepane
CID 120999353
3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine
CID 90594817
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione (CID 121159666) is 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is FIRFMPJBKINJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-17-10-19-18(23)21(17)15-11-20(12-15)26(24,25)16-8-4-7-14(9-16)13-5-2-1-3-6-13/h1-9,15H,10-12H2,(H,19,23).
What are the key properties of 3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 371.42 g/mol, XLogP of 1.28, 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)sulfonylazetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).