3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

C24H23N3O4S — CID 4794115

IUPAC3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C24H23N3O4S/c1-26(2)32(30,31)21-15-9-10-18(16-21)17-27-22(28)24(25-23(27)29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,17H2,1-2H3,(H,25,29)
InChIKeyZRRQIZKNTYESSK-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.93
Rot. Bonds6

About 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 4794115) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID4794115
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C24H23N3O4S/c1-26(2)32(30,31)21-15-9-10-18(16-21)17-27-22(28)24(25-23(27)29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,17H2,1-2H3,(H,25,29)
InChIKeyZRRQIZKNTYESSK-UHFFFAOYSA-N
XLogP2.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.93
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-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 52727040
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
3-[[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 92509722
3-[(3,4-difluorophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 78797815
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 136572202
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
3-(naphthalen-1-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 7916945
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9291310
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
4-[[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzonitrile
CID 8672971
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 4794115) is 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZRRQIZKNTYESSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-26(2)32(30,31)21-15-9-10-18(16-21)17-27-22(28)24(25-23(27)29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,17H2,1-2H3,(H,25,29).
What are the key properties of 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4794115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).