4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide

C20H25BrN2O3S — CID 16553768

IUPAC4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2)N2CCCCC2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-26-18-9-5-16(6-10-18)20(23-13-3-2-4-14-23)15-22-27(24,25)19-11-7-17(21)8-12-19/h5-12,20,22H,2-4,13-15H2,1H3
InChIKeyJFYONTBHRDTDPY-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.96
Rot. Bonds7

About 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide

4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide (PubChem CID 16553768) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
PubChem CID16553768
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC Name4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2)N2CCCCC2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-26-18-9-5-16(6-10-18)20(23-13-3-2-4-14-23)15-22-27(24,25)19-11-7-17(21)8-12-19/h5-12,20,22H,2-4,13-15H2,1H3
InChIKeyJFYONTBHRDTDPY-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide 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

4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 42905295
4-cyano-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169277
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
N-[2-methoxy-4-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]phenyl]acetamide
CID 41014795
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481771

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide (CID 16553768) is 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2)N2CCCCC2)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The InChIKey is JFYONTBHRDTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-26-18-9-5-16(6-10-18)20(23-13-3-2-4-14-23)15-22-27(24,25)19-11-7-17(21)8-12-19/h5-12,20,22H,2-4,13-15H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide?
4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide has a molecular weight of 453.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16553768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).