3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione

C21H16N2O5S — CID 10835279

IUPAC3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16N2O5S/c24-20-15-22(16-8-3-1-4-9-16)21(25)23(20)29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14H,15H2
InChIKeyADZFNVIOXMBWIU-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.64
Rot. Bonds5

About 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione

3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (PubChem CID 10835279) has the molecular formula C21H16N2O5S and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
PubChem CID10835279
Molecular FormulaC21H16N2O5S
Molecular Weight408.44 g/mol
Exact Mass408.08
IUPAC Name3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16N2O5S/c24-20-15-22(16-8-3-1-4-9-16)21(25)23(20)29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14H,15H2
InChIKeyADZFNVIOXMBWIU-UHFFFAOYSA-N
XLogP3.64
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10736348
3-(4-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10740202
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide
CID 56931305
2-[N-(benzenesulfonyl)-4-phenoxyanilino]acetamide
CID 2221794
4-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 2899207
N-(4-methoxyphenyl)-N-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 2915556
N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372221
3-(4-Chloro-benzenesulfonyl)-1-(4-phenoxy-phenyl)-imidazolidine-2,4-dione
CID 10527210

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (CID 10835279) is 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is ADZFNVIOXMBWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5S/c24-20-15-22(16-8-3-1-4-9-16)21(25)23(20)29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14H,15H2.
What are the key properties of 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 408.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10835279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).