N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide

C26H32N4O2S — CID 69154190

IUPACN-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H32N4O2S/c1-22(29-16-18-30(19-17-29)24-11-4-2-5-12-24)20-27-21-23-10-8-9-15-26(23)28-33(31,32)25-13-6-3-7-14-25/h2-15,22,27-28H,16-21H2,1H3
InChIKeyFMYHMDMIGXGDFA-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.79
Rot. Bonds9

About N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide

N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide (PubChem CID 69154190) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide
PubChem CID69154190
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H32N4O2S/c1-22(29-16-18-30(19-17-29)24-11-4-2-5-12-24)20-27-21-23-10-8-9-15-26(23)28-33(31,32)25-13-6-3-7-14-25/h2-15,22,27-28H,16-21H2,1H3
InChIKeyFMYHMDMIGXGDFA-UHFFFAOYSA-N
XLogP3.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62558178
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42960746
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide
CID 96508325
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
CID 60532275
5-bromo-N-[2-[[1-(4-phenylpiperazin-1-yl)propan-2-ylamino]methyl]phenyl]thiophene-2-sulfonamide
CID 68948890
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 69154834
4-methyl-3-nitro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 46452675
1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide
CID 126785175
(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
CID 119745106

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide (CID 69154190) is N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide is CC(CNCc1ccccc1NS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide?
The InChIKey is FMYHMDMIGXGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-22(29-16-18-30(19-17-29)24-11-4-2-5-12-24)20-27-21-23-10-8-9-15-26(23)28-33(31,32)25-13-6-3-7-14-25/h2-15,22,27-28H,16-21H2,1H3.
What are the key properties of N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide?
N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide has a molecular weight of 464.64 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 69154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).