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

C18H15BrN2O4S — CID 155564684

IUPAC1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O4S/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)
InChIKeyPLHRUKZORBTXRB-UHFFFAOYSA-N
MW435.30 g/mol
LogP2.92
Rot. Bonds2

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

1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 155564684) has the molecular formula C18H15BrN2O4S and a molecular weight of 435.30 g/mol. Its IUPAC name is 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID155564684
Molecular FormulaC18H15BrN2O4S
Molecular Weight435.30 g/mol
Exact Mass433.99
IUPAC Name1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O4S/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)
InChIKeyPLHRUKZORBTXRB-UHFFFAOYSA-N
XLogP2.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 155564684) is 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCCc3ccccc32)N1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is PLHRUKZORBTXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4S/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-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 435.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-bromophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155564684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).