1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide

C19H21BrN2O3S — CID 50808819

IUPAC1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H21BrN2O3S/c20-17-10-4-5-11-18(17)21-19(23)16-9-6-12-22(13-16)26(24,25)14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23)
InChIKeyJOYLIOCGRWILCJ-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.63
Rot. Bonds5

About 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide

1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide (PubChem CID 50808819) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
PubChem CID50808819
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H21BrN2O3S/c20-17-10-4-5-11-18(17)21-19(23)16-9-6-12-22(13-16)26(24,25)14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23)
InChIKeyJOYLIOCGRWILCJ-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-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

(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
(3S)-1-benzylsulfonyl-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92641267
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
(3R)-1-benzylsulfonyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 92641388
1-benzylsulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 50809020
(3R)-1-benzylsulfonyl-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 92641334
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013
methyl 2-[[(3S)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 92641920
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
(3R)-N-(4-bromo-2-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642245

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide (CID 50808819) is 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Br)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide?
The InChIKey is JOYLIOCGRWILCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c20-17-10-4-5-11-18(17)21-19(23)16-9-6-12-22(13-16)26(24,25)14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,23).
What are the key properties of 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide?
1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50808819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).