Details of the Drug

General Information of Drug (ID: DM1D7KY)

Drug Name

S-(-)-sulpiride

Synonyms

MolPort-019-994-454; AS-12199; A816834; N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-2-sulfamoylbenzamide; N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methoxy-2-sulfamoylbenzamide; N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-2-sulfamoyl-benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

341.4

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C15H23N3O4S
IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxy-2-sulfamoylbenzamide
Canonical SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)OC)S(=O)(=O)N
InChI: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(22-2)6-7-14(13)23(16,20)21/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKey: KRSITCLIUSFUOQ-UHFFFAOYSA-N