3'-(4-Chlorophenylsulfonyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione

ID: ALA3426171

Chembl Id: CHEMBL3426171

PubChem CID: 118736979

Max Phase: Preclinical

Molecular Formula: C21H13ClN2O4S

Molecular Weight: 424.87

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C1NC2(C(=O)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1-c1ccccc12

Standard InChI:  InChI=1S/C21H13ClN2O4S/c22-13-9-11-14(12-10-13)29(27,28)24-19(25)21(23-20(24)26)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H,(H,23,26)

Standard InChI Key:  RWHDRHNGMXUMDU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3426171

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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: 424.87

Molecular Weight (Monoisotopic): 424.0285

AlogP: 3.50

#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: 9.51

CX Basic pKa: ┄

CX LogP: 4.02

CX LogD: 4.02

Aromatic Rings: 3

Heavy Atoms: 29

QED Weighted: 0.64

Np Likeness Score: -0.81

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