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

C12H12ClN3O4S — CID 121159644

IUPAC3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClN3O4S/c13-8-1-3-10(4-2-8)21(19,20)15-6-9(7-15)16-11(17)5-14-12(16)18/h1-4,9H,5-7H2,(H,14,18)
InChIKeyZZQYIZGBWYUOOF-UHFFFAOYSA-N
MW329.77 g/mol
LogP0.26
Rot. Bonds3

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

3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159644) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159644
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Name3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClN3O4S/c13-8-1-3-10(4-2-8)21(19,20)15-6-9(7-15)16-11(17)5-14-12(16)18/h1-4,9H,5-7H2,(H,14,18)
InChIKeyZZQYIZGBWYUOOF-UHFFFAOYSA-N
XLogP0.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 50.26
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-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159658
3-[1-(3-phenylphenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159666
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
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159450
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159635
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160153
3-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159679

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione (CID 121159644) is 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is ZZQYIZGBWYUOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c13-8-1-3-10(4-2-8)21(19,20)15-6-9(7-15)16-11(17)5-14-12(16)18/h1-4,9H,5-7H2,(H,14,18).
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 329.77 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).