5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide

C14H12BrClN2OS — CID 27883856

IUPAC5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1cncc(Br)c1
InChIInChI=1S/C14H12BrClN2OS/c15-11-7-10(8-17-9-11)14(19)18-5-6-20-13-3-1-12(16)2-4-13/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyVEDHIVDBGHFDLW-UHFFFAOYSA-N
MW371.69 g/mol
LogP4.02
Rot. Bonds5

About 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide

5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide (PubChem CID 27883856) has the molecular formula C14H12BrClN2OS and a molecular weight of 371.69 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
PubChem CID27883856
Molecular FormulaC14H12BrClN2OS
Molecular Weight371.69 g/mol
Exact Mass369.95
IUPAC Name5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
SMILESO=C(NCCSc1ccc(Cl)cc1)c1cncc(Br)c1
InChIInChI=1S/C14H12BrClN2OS/c15-11-7-10(8-17-9-11)14(19)18-5-6-20-13-3-1-12(16)2-4-13/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyVEDHIVDBGHFDLW-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.69
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-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

5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 2277112
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromopyridine-3-carboxylate
CID 8871549
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrazol-1-ylbenzamide
CID 9259084
5-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103709015
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]-1H-pyrrole-2-carboxamide
CID 27884058
5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide
CID 41155829

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide (CID 27883856) is 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide is O=C(NCCSc1ccc(Cl)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide?
The InChIKey is VEDHIVDBGHFDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2OS/c15-11-7-10(8-17-9-11)14(19)18-5-6-20-13-3-1-12(16)2-4-13/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide has a molecular weight of 371.69 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 27883856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).