N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

C20H25FN2O3S — CID 24793901

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-26-19-8-10-20(11-9-19)27(24,25)22-13-17-3-2-12-23(15-17)14-16-4-6-18(21)7-5-16/h4-11,17,22H,2-3,12-15H2,1H3
InChIKeySJRPABQRKFKLQZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.02
Rot. Bonds7

About N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 24793901) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID24793901
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-26-19-8-10-20(11-9-19)27(24,25)22-13-17-3-2-12-23(15-17)14-16-4-6-18(21)7-5-16/h4-11,17,22H,2-3,12-15H2,1H3
InChIKeySJRPABQRKFKLQZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide 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-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-((4-fluorophenyl)sulfonyl)-N-(3-((3-methoxybenzyl)amino)-3-oxopropyl)piperidine-4-carboxamide
CID 17585900
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
4-Benzyl-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide
CID 10525329
1-[[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 11511522
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
4-Methoxy-N-{3-[4-(m-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635027

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (CID 24793901) is N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCN(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is SJRPABQRKFKLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-26-19-8-10-20(11-9-19)27(24,25)22-13-17-3-2-12-23(15-17)14-16-4-6-18(21)7-5-16/h4-11,17,22H,2-3,12-15H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24793901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).