5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide

C13H12BrClN2O2S2 — CID 61298508

IUPAC5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H12BrClN2O2S2/c1-2-20-11-6-4-3-5-10(11)17-21(18,19)12-7-9(14)8-16-13(12)15/h3-8,17H,2H2,1H3
InChIKeyLUWXQHSCQPOCQX-UHFFFAOYSA-N
MW407.74 g/mol
LogP4.41
Rot. Bonds5

About 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide (PubChem CID 61298508) has the molecular formula C13H12BrClN2O2S2 and a molecular weight of 407.74 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
PubChem CID61298508
Molecular FormulaC13H12BrClN2O2S2
Molecular Weight407.74 g/mol
Exact Mass405.92
IUPAC Name5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCCSc1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H12BrClN2O2S2/c1-2-20-11-6-4-3-5-10(11)17-21(18,19)12-7-9(14)8-16-13(12)15/h3-8,17H,2H2,1H3
InChIKeyLUWXQHSCQPOCQX-UHFFFAOYSA-N
XLogP4.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide 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

2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 61127258
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 61072361
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115899532
5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide
CID 60779709
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide (CID 61298508) is 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide is CCSc1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide?
The InChIKey is LUWXQHSCQPOCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S2/c1-2-20-11-6-4-3-5-10(11)17-21(18,19)12-7-9(14)8-16-13(12)15/h3-8,17H,2H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide has a molecular weight of 407.74 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61298508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).