Details of the Drug

General Information of Drug (ID: DMDK4MG)

Drug Name

M7583

Synonyms

ZAXMFSSGOARPBM-UHFFFAOYSA-N; 51123-09-2; 5-amino-n-ethyl-2-methyl-n-phenylbenzenesulfonamide; 5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulphonamide; 4-AMINO TOLUENE-2-(N-ETHYL) SULFONANILIDE; 5-AMINO-N-ETHYL-O-TOLUENESULFONANILIDE; Q-200530; AMINO-4-METHYL-BENZENE-3-(N-ETHYL)-SULFANILIDE; 5-amino-N-ethyl-2-methyl-N-phenylbenzene-1-sulfonamide; NSC84161; EINECS 256-998-5; NSC 84161; AC1Q2YPH; AC1L3WX0; AC1Q6V7C; AC1Q2YP6; SCHEMBL9072675; 4-Aminotoluol-2-sulfethylanilid; Benzenesulfonamide, 3-amino-N-ethyl-6-methyl-N-phenyl-; CTK4J3696; MolPort-001-759-851

Indication

Disease Entry	ICD 11	Status	REF
Haematological malignancy	2B33.Y	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

290.4

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H18N2O2S
IUPAC Name: 5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide
Canonical SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N)C
InChI: InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3
InChIKey: ZAXMFSSGOARPBM-UHFFFAOYSA-N