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

C17H16N2O6S — CID 10714544

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C17H16N2O6S/c1-24-14-9-8-13(10-15(14)25-2)26(22,23)19-16(20)11-18(17(19)21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyFHINKGTXICEXAI-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.86
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (PubChem CID 10714544) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
PubChem CID10714544
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C17H16N2O6S/c1-24-14-9-8-13(10-15(14)25-2)26(22,23)19-16(20)11-18(17(19)21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyFHINKGTXICEXAI-UHFFFAOYSA-N
XLogP1.86
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2948005
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3,4-dimethoxy-benzenesulfonamide
CID 6493637
3-(3,4-Dimethoxy-benzenesulfonyl)-1-(3,4-dimethyl-phenyl)-imidazolidine-2,4-dione
CID 10431323
3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10736348
3-(4-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10740202
3-(3-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10835279
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(2-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363411
4-(3,4-dimethoxyphenyl)sulfonyl-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 57403244
N-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 985158
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
CID 994221

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (CID 10714544) is 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is COc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is FHINKGTXICEXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-24-14-9-8-13(10-15(14)25-2)26(22,23)19-16(20)11-18(17(19)21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 376.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10714544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).