1'-(Naphthalen-2-ylsulfonyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione

ID: ALA3426249

Chembl Id: CHEMBL3426249

PubChem CID: 118737080

Max Phase: Preclinical

Molecular Formula: C25H16N2O4S

Molecular Weight: 440.48

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc2ccccc2c1

Standard InChI:  InChI=1S/C25H16N2O4S/c28-23-25(21-11-5-3-9-19(21)20-10-4-6-12-22(20)25)27(24(29)26-23)32(30,31)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H,(H,26,28,29)

Standard InChI Key:  UDNWTBGZZKWBQB-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3426249

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 440.48

Molecular Weight (Monoisotopic): 440.0831

AlogP: 4.00

#Rotatable Bonds: 2

Polar Surface Area: 83.55

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 8.01

CX Basic pKa: ┄

CX LogP: 4.41

CX LogD: 4.32

Aromatic Rings: 4

Heavy Atoms: 32

QED Weighted: 0.48

Np Likeness Score: -0.54

References

1. Iqbal Z, Hameed S, Ali S, Tehseen Y, Shahid M, Iqbal J..  (2015)  Synthesis, characterization, hypoglycemic and aldose reductase inhibition activity of arylsulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-diones.,  98  [PMID:26005026] [10.1016/j.ejmech.2015.05.011]

Source

Source(1):

• Scientific Literature