N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide

C11H9BrClN3O2S — CID 104952510

IUPACN-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cnccc2Cl)cnc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-4-8(5-15-11(7)12)16-19(17,18)10-6-14-3-2-9(10)13/h2-6,16H,1H3
InChIKeyUYKWOXGFWCSCRE-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide

N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide (PubChem CID 104952510) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide
PubChem CID104952510
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC NameN-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cnccc2Cl)cnc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-4-8(5-15-11(7)12)16-19(17,18)10-6-14-3-2-9(10)13/h2-6,16H,1H3
InChIKeyUYKWOXGFWCSCRE-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-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

4-chloro-N-(3-chloro-5-fluorophenyl)pyridine-3-sulfonamide
CID 104952426
4-chloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 65482256
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
CID 79768669
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104940865
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide?
The IUPAC name of N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide (CID 104952510) is N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cnccc2Cl)cnc1Br.
What is the InChIKey of N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide?
The InChIKey is UYKWOXGFWCSCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-4-8(5-15-11(7)12)16-19(17,18)10-6-14-3-2-9(10)13/h2-6,16H,1H3.
What are the key properties of N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide?
N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide has a molecular weight of 362.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide is sourced from PubChem (CID 104952510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).