Details of the Drug

General Information of Drug (ID: DM7W25U)

Drug Name

1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole

Synonyms

CHEMBL370779; 1-(phenylsulfonyl)-4-(1-piperazinyl)-1h-indole; 1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole; 412049-71-9; 1-Benzenesulfonyl-4-piperazin-1-yl-1H-indole; SCHEMBL1136504; ZINC3210; DTXSID90436238; OPAMDWUUNKYGOR-UHFFFAOYSA-N; BDBM50174269; 1-(phenylsulfonyl)-4-piperazin-1-yl-indole; FT-0724295; 1-(benzenesulfonyl)-4-(1-piperazinyl)indole; 1-(phenylsulfonyl)-4-piperzin-1-yl-1H-indole; 1-(phenylsulfonyl)-4-piperazin-1-yl-1H-indole; 1-(phenylsulfonyl)-4-piperazin-1-y1-1H-indole

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)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H19N3O2S
IUPAC Name: 1-(benzenesulfonyl)-4-piperazin-1-ylindole
Canonical SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
InChIKey: OPAMDWUUNKYGOR-UHFFFAOYSA-N