N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide

C12H10ClIN2O2S — CID 103744866

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(I)cc2)cnc1Cl
InChIInChI=1S/C12H10ClIN2O2S/c1-8-6-10(7-15-12(8)13)16-19(17,18)11-4-2-9(14)3-5-11/h2-7,16H,1H3
InChIKeyJUMIDZGXVCBTJR-UHFFFAOYSA-N
MW408.65 g/mol
LogP3.45
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide

N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide (PubChem CID 103744866) has the molecular formula C12H10ClIN2O2S and a molecular weight of 408.65 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
PubChem CID103744866
Molecular FormulaC12H10ClIN2O2S
Molecular Weight408.65 g/mol
Exact Mass407.92
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(I)cc2)cnc1Cl
InChIInChI=1S/C12H10ClIN2O2S/c1-8-6-10(7-15-12(8)13)16-19(17,18)11-4-2-9(14)3-5-11/h2-7,16H,1H3
InChIKeyJUMIDZGXVCBTJR-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.65
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide 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-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 91644529
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
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
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-(6-chloro-5-methyl-3-pyridinyl)propane-2-sulfonamide
CID 103744914
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
N-(6-chloro-5-methyl-3-pyridinyl)cyclohexanesulfonamide
CID 103744873
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide (CID 103744866) is N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(I)cc2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide?
The InChIKey is JUMIDZGXVCBTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O2S/c1-8-6-10(7-15-12(8)13)16-19(17,18)11-4-2-9(14)3-5-11/h2-7,16H,1H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide has a molecular weight of 408.65 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 103744866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).