N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide

C20H26N2O4S — CID 1091563

IUPACN-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O4S/c1-25-18-8-9-19(26-2)20(14-18)27(23,24)21-17-10-12-22(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,21H,10-13,15H2,1-2H3
InChIKeyFPFXAMSVJDTHQE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.65
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 1091563) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID1091563
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H26N2O4S/c1-25-18-8-9-19(26-2)20(14-18)27(23,24)21-17-10-12-22(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,21H,10-13,15H2,1-2H3
InChIKeyFPFXAMSVJDTHQE-UHFFFAOYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide 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

N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
1-(2,5-Dimethoxybenzyl)-4-(phenylsulfonyl)piperazine
CID 1122528
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
1-Benzyl-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 660773
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
1-[[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 11511522
N-[(3R)-1-cyanopyrrolidin-3-yl]-N-[(2,6-difluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 44463888
1-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308412
2-[(2,5-Dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 756352
2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 648432
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide (CID 1091563) is N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is FPFXAMSVJDTHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-25-18-8-9-19(26-2)20(14-18)27(23,24)21-17-10-12-22(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17,21H,10-13,15H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1091563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).