N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride

C25H39Cl2N3O3S — CID 19696630

IUPACN,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(CNC2CCCNC2c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C25H37N3O3S.2ClH/c1-5-28(6-2)32(29,30)22-14-15-24(31-19(3)4)21(17-22)18-27-23-13-10-16-26-25(23)20-11-8-7-9-12-20;;/h7-9,11-12,14-15,17,19,23,25-27H,5-6,10,13,16,18H2,1-4H3;2*1H
InChIKeyBMCFEIWFDSHOHA-UHFFFAOYSA-N
MW532.58 g/mol
LogP4.93
Rot. Bonds10

About N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride

N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride (PubChem CID 19696630) has the molecular formula C25H39Cl2N3O3S and a molecular weight of 532.58 g/mol. Its IUPAC name is N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride
PubChem CID19696630
Molecular FormulaC25H39Cl2N3O3S
Molecular Weight532.58 g/mol
Exact Mass531.21
IUPAC NameN,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(CNC2CCCNC2c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C25H37N3O3S.2ClH/c1-5-28(6-2)32(29,30)22-14-15-24(31-19(3)4)21(17-22)18-27-23-13-10-16-26-25(23)20-11-8-7-9-12-20;;/h7-9,11-12,14-15,17,19,23,25-27H,5-6,10,13,16,18H2,1-4H3;2*1H
InChIKeyBMCFEIWFDSHOHA-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride 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,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride?
The IUPAC name of N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride (CID 19696630) is N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride.
What is the SMILES notation for N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride?
The canonical SMILES for N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(CNC2CCCNC2c2ccccc2)c1.Cl.Cl.
What is the InChIKey of N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride?
The InChIKey is BMCFEIWFDSHOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S.2ClH/c1-5-28(6-2)32(29,30)22-14-15-24(31-19(3)4)21(17-22)18-27-23-13-10-16-26-25(23)20-11-8-7-9-12-20;;/h7-9,11-12,14-15,17,19,23,25-27H,5-6,10,13,16,18H2,1-4H3;2*1H.
What are the key properties of N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride?
N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride has a molecular weight of 532.58 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxybenzenesulfonamide;dihydrochloride is sourced from PubChem (CID 19696630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).