(R)-N-((3-(3-Fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)quinoline-8-sulfonamide

ID: ALA2337833

PubChem CID: 71652736

Max Phase: Preclinical

Molecular Formula: C23H23FN4O5S

Molecular Weight: 486.53

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C1O[C@@H](CNS(=O)(=O)c2cccc3cccnc23)CN1c1ccc(N2CCOCC2)c(F)c1

Standard InChI:  InChI=1S/C23H23FN4O5S/c24-19-13-17(6-7-20(19)27-9-11-32-12-10-27)28-15-18(33-23(28)29)14-26-34(30,31)21-5-1-3-16-4-2-8-25-22(16)21/h1-8,13,18,26H,9-12,14-15H2/t18-/m0/s1

Standard InChI Key:  IGYYSWWEABQOGM-SFHVURJKSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA2337833

   N-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide

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: 486.53

Molecular Weight (Monoisotopic): 486.1373

AlogP: 2.51

#Rotatable Bonds: 6

Polar Surface Area: 101.07

Molecular Species: NEUTRAL

HBA: 7

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 9

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 9.51

CX Basic pKa: 0.49

CX LogP: 2.40

CX LogD: 2.40

Aromatic Rings: 3

Heavy Atoms: 34

QED Weighted: 0.57

Np Likeness Score: -1.98

References

1. Kamal A, Swapna P, Shetti RV, Shaik AB, Narasimha Rao MP, Gupta S..  (2013)  Synthesis, biological evaluation of new oxazolidino-sulfonamides as potential antimicrobial agents.,  62  [PMID:23434639] [10.1016/j.ejmech.2013.01.034]

Source

Source(1):

• Scientific Literature