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

C19H19N3O4S — CID 121159658

IUPAC3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1cccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)CNC4=O)C3)cc2)c1
InChIInChI=1S/C19H19N3O4S/c1-13-3-2-4-15(9-13)14-5-7-17(8-6-14)27(25,26)21-11-16(12-21)22-18(23)10-20-19(22)24/h2-9,16H,10-12H2,1H3,(H,20,24)
InChIKeyFOYPCHKZSDTUGR-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.59
Rot. Bonds4

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

3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159658) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159658
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1cccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)CNC4=O)C3)cc2)c1
InChIInChI=1S/C19H19N3O4S/c1-13-3-2-4-15(9-13)14-5-7-17(8-6-14)27(25,26)21-11-16(12-21)22-18(23)10-20-19(22)24/h2-9,16H,10-12H2,1H3,(H,20,24)
InChIKeyFOYPCHKZSDTUGR-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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
2-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265427
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160153
3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160142
2-[1-[4-(3-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178887
3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159635
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
3-methoxy-8-[4-(3-methylphenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octane
CID 122255628
sodium 4-(3-methylphenyl)benzenesulfonate
CID 46741396
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione (CID 121159658) is 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione is Cc1cccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)CNC4=O)C3)cc2)c1.
What is the InChIKey of 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is FOYPCHKZSDTUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-3-2-4-15(9-13)14-5-7-17(8-6-14)27(25,26)21-11-16(12-21)22-18(23)10-20-19(22)24/h2-9,16H,10-12H2,1H3,(H,20,24).
What are the key properties of 3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione?
3-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 385.45 g/mol, XLogP of 1.59, 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-methylphenyl)phenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).