1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C18H15FN2O4S — CID 155522284

IUPAC1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)
InChIKeyHFXHDSJNJKVJNB-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.30
Rot. Bonds2

About 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 155522284) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID155522284
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23)
InChIKeyHFXHDSJNJKVJNB-UHFFFAOYSA-N
XLogP2.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.30
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

PC-796
CID 88892
3-[2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 24687856
1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155521721
1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155550245
3'-(4-Methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
CID 118736978
1'-(4-Methylphenyl)sulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
CID 118736985
1'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155529053
1'-(4-methylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155537004
3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155539348
3'-(4-methylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155547724
1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 155564684
5-Ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione
CID 11291300

Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 155522284) is 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is HFXHDSJNJKVJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-17(23)20-16(22)18(21)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,22,23).
What are the key properties of 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 374.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155522284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).