1,3-bis(phenylsulfonyl)-1,3-dihydro-2H-imidazol-2-one

ID: ALA4566180

Chembl Id: CHEMBL4566180

PubChem CID: 155560810

Max Phase: Preclinical

Molecular Formula: C15H12N2O5S2

Molecular Weight: 364.40

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O=c1n(S(=O)(=O)c2ccccc2)ccn1S(=O)(=O)c1ccccc1

Standard InChI:  InChI=1S/C15H12N2O5S2/c18-15-16(23(19,20)13-7-3-1-4-8-13)11-12-17(15)24(21,22)14-9-5-2-6-10-14/h1-12H

Standard InChI Key:  LOERWFGEKQFQIC-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4566180

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 364.40

Molecular Weight (Monoisotopic): 364.0188

AlogP: 1.12

#Rotatable Bonds: 4

Polar Surface Area: 95.21

Molecular Species: ┄

HBA: 7

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 2.47

CX LogD: 2.47

Aromatic Rings: 3

Heavy Atoms: 24

QED Weighted: 0.69

Np Likeness Score: -0.80

References

1. Sittihan S, Jumpathong W, Sopha P, Ruchirawat S..  (2020)  Synthesis and antitumor activity of bis(arylsulfonyl)dihydroimidazolinone derivatives.,  30  (1): [PMID:31704206] [10.1016/j.bmcl.2019.126776]

Source

Source(1):

• Scientific Literature