N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C19H21BrN2O3S — CID 16863431

IUPACN-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(Br)c3)C2)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-14-7-9-18(10-8-14)26(24,25)22-11-3-4-15(13-22)19(23)21-17-6-2-5-16(20)12-17/h2,5-10,12,15H,3-4,11,13H2,1H3,(H,21,23)
InChIKeyPALULOFTRLCILJ-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.80
Rot. Bonds4

About N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16863431) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID16863431
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC NameN-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(Br)c3)C2)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-14-7-9-18(10-8-14)26(24,25)22-11-3-4-15(13-22)19(23)21-17-6-2-5-16(20)12-17/h2,5-10,12,15H,3-4,11,13H2,1H3,(H,21,23)
InChIKeyPALULOFTRLCILJ-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-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

(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862481
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3S)-N-(3-bromophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302430
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125077648
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 1243346
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 41302466
(3S)-1-(4-bromophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 41302306
1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3214784
(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-bromophenyl)piperidine-3-carboxamide
CID 92714921

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 16863431) is N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(Br)c3)C2)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PALULOFTRLCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-14-7-9-18(10-8-14)26(24,25)22-11-3-4-15(13-22)19(23)21-17-6-2-5-16(20)12-17/h2,5-10,12,15H,3-4,11,13H2,1H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16863431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).