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

C18H15ClN2O4S — CID 155523913

IUPAC3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-16(22)18(20-17(21)23)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,23)
InChIKeyWWNWSLZCQVQJTE-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.81
Rot. Bonds2

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

3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 155523913) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID155523913
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Name3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-16(22)18(20-17(21)23)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,23)
InChIKeyWWNWSLZCQVQJTE-UHFFFAOYSA-N
XLogP2.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.81
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 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 155523913) is 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is WWNWSLZCQVQJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c19-13-7-9-14(10-8-13)26(24,25)21-16(22)18(20-17(21)23)11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H,20,23).
What are the key properties of 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 390.85 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-chlorophenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155523913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).