N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide

C11H9BrClN3O2S — CID 79048643

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-9(12)3-5-11(15-7)16-19(17,18)8-2-4-10(13)14-6-8/h2-6H,1H3,(H,15,16)
InChIKeyUNMQRGMLRSJNSK-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide (PubChem CID 79048643) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
PubChem CID79048643
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-9(12)3-5-11(15-7)16-19(17,18)8-2-4-10(13)14-6-8/h2-6H,1H3,(H,15,16)
InChIKeyUNMQRGMLRSJNSK-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-(5-bromo-6-methyl-2-pyridinyl)-6-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

N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide
CID 79041281
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256
6-chloro-N-(3,5-dibromopyrazin-2-yl)pyridine-3-sulfonamide
CID 114074106
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
CID 106070385
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-(5-bromo-6-methyl-2-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106070412
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide (CID 79048643) is N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
The InChIKey is UNMQRGMLRSJNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-9(12)3-5-11(15-7)16-19(17,18)8-2-4-10(13)14-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-6-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-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 79048643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).