Details of the Drug

General Information of Drug (ID: DML5AE4)

Drug Name

FK-3311

Synonyms

116686-15-8; FK 3311; FK-3311; FK3311; COX-2 Inhibitor V, FK3311; N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]methanesulfonamide; N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide; 4'-Acetyl-2'-(2,4-difluorophenoxy)methanesulfonanilide; Methanesulfonamide, N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]-; C15H13F2NO4S; Methanesulfonamide, N-(4-acetyl-2-(2,4-difluorophenoxy)phenyl)-; DIIYLGZNZGPXRR-UHFFFAOYSA-N; AC1L4U0O; AC1Q6W4K; SCHEMBL441676; ZINC3880; DIIYLGZNZGPXRR-UHFFFAOYSA-; CTK8E9207; EX-A545; DTXSID90151474

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

341.3

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C15H13F2NO4S
IUPAC Name: N-[4-acetyl-2-(2,4-difluorophenoxy)phenyl]methanesulfonamide
Canonical SMILES: CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F
InChI: InChI=1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3
InChIKey: DIIYLGZNZGPXRR-UHFFFAOYSA-N