N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

C19H19Br2ClN2O3S — CID 43905199

IUPACN-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19Br2ClN2O3S/c20-15-3-1-13(2-4-15)12-28(26,27)24-9-7-14(8-10-24)19(25)23-16-5-6-17(21)18(22)11-16/h1-6,11,14H,7-10,12H2,(H,23,25)
InChIKeyUHXZMYBOANFNAZ-UHFFFAOYSA-N
MW550.70 g/mol
LogP5.05
Rot. Bonds5

About N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 43905199) has the molecular formula C19H19Br2ClN2O3S and a molecular weight of 550.70 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID43905199
Molecular FormulaC19H19Br2ClN2O3S
Molecular Weight550.70 g/mol
Exact Mass547.92
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19Br2ClN2O3S/c20-15-3-1-13(2-4-15)12-28(26,27)24-9-7-14(8-10-24)19(25)23-16-5-6-17(21)18(22)11-16/h1-6,11,14H,7-10,12H2,(H,23,25)
InChIKeyUHXZMYBOANFNAZ-UHFFFAOYSA-N
XLogP5.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide 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-bromophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53284038
1-[(4-bromophenyl)methylsulfonyl]-N-(2,6-dichlorophenyl)piperidine-4-carboxamide
CID 30378518
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
1-[(4-bromophenyl)methylsulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43885234
1-[(4-bromophenyl)methylsulfonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 46771321
1-[(4-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 92676894
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99940101
ethyl 2-chloro-4-[[1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 28566732
1-benzylsulfonyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 55805217
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 43876150
N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 38013728
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
CID 43924887

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 43905199) is N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is UHXZMYBOANFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2ClN2O3S/c20-15-3-1-13(2-4-15)12-28(26,27)24-9-7-14(8-10-24)19(25)23-16-5-6-17(21)18(22)11-16/h1-6,11,14H,7-10,12H2,(H,23,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 550.70 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 43905199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).