N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide

C21H26N4O2S — CID 90935400

IUPACN-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide
SMILESCN1CCN(c2cn(C)c3ccc(NS(=O)(=O)Cc4ccccc4)cc23)CC1
InChIInChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)21-15-24(2)20-9-8-18(14-19(20)21)22-28(26,27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3
InChIKeyJWAHGSXXOWPZOQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.87
Rot. Bonds5

About N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide

N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide (PubChem CID 90935400) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide
PubChem CID90935400
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide
SMILESCN1CCN(c2cn(C)c3ccc(NS(=O)(=O)Cc4ccccc4)cc23)CC1
InChIInChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)21-15-24(2)20-9-8-18(14-19(20)21)22-28(26,27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3
InChIKeyJWAHGSXXOWPZOQ-UHFFFAOYSA-N
XLogP2.87
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide (CID 90935400) is N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide is CN1CCN(c2cn(C)c3ccc(NS(=O)(=O)Cc4ccccc4)cc23)CC1.
What is the InChIKey of N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide?
The InChIKey is JWAHGSXXOWPZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)21-15-24(2)20-9-8-18(14-19(20)21)22-28(26,27)16-17-6-4-3-5-7-17/h3-9,14-15,22H,10-13,16H2,1-2H3.
What are the key properties of N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide?
N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(4-methylpiperazin-1-yl)indol-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 90935400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).