3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide

C23H30BrN3O2S — CID 24739388

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C23H30BrN3O2S/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(20-5-2-1-3-6-20)13-4-14-27(18-23)30(25,28)29/h1-3,5-10,21H,4,11-18H2,(H2,25,28,29)
InChIKeyCQRATEQQEZFVNL-UHFFFAOYSA-N
MW492.48 g/mol
LogP3.90
Rot. Bonds5

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide (PubChem CID 24739388) has the molecular formula C23H30BrN3O2S and a molecular weight of 492.48 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide
PubChem CID24739388
Molecular FormulaC23H30BrN3O2S
Molecular Weight492.48 g/mol
Exact Mass491.12
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C23H30BrN3O2S/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(20-5-2-1-3-6-20)13-4-14-27(18-23)30(25,28)29/h1-3,5-10,21H,4,11-18H2,(H2,25,28,29)
InChIKeyCQRATEQQEZFVNL-UHFFFAOYSA-N
XLogP3.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide 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

(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidine-1-carbaldehyde
CID 24739386
(+)-1-(1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidin-1-yl)ethanone
CID 24739387
1-[3-[1-[(4-Bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]propan-1-one
CID 24739888
(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidine-1-carboxamide
CID 24739889
(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidine
CID 44580959
7-bromo-N-[(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 12823211
(1S,5R)-7-(4-bromophenyl)-6-[(4-fluorophenyl)methyl]-3-methylsulfonyl-3,6-diazabicyclo[3.1.1]heptane
CID 71759061
1-Benzyl-3-[(4-bromophenyl)methyl]piperidine
CID 135053627
3-Benzyl-1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
CID 12891357
N-[(4-bromophenyl)methylsulfamoyl]-4-piperidin-1-ylbutan-1-amine
CID 21883807
N-Benzyl-4-(4-bromophenyl)piperidine
CID 21995436
2-(1-Benzylpiperidin-4-yl)-2-(4-bromophenyl)acetonitrile
CID 57603177

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide (CID 24739388) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide is NS(=O)(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide?
The InChIKey is CQRATEQQEZFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O2S/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(20-5-2-1-3-6-20)13-4-14-27(18-23)30(25,28)29/h1-3,5-10,21H,4,11-18H2,(H2,25,28,29).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide has a molecular weight of 492.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-1-sulfonamide is sourced from PubChem (CID 24739388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).