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

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).