5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide

C13H12Cl2N2O2S — CID 103744848

IUPAC5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-3-4-10(14)6-12(8)20(18,19)17-11-5-9(2)13(15)16-7-11/h3-7,17H,1-2H3
InChIKeyJAKSMKKVJAKBCB-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide

5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 103744848) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID103744848
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-3-4-10(14)6-12(8)20(18,19)17-11-5-9(2)13(15)16-7-11/h3-7,17H,1-2H3
InChIKeyJAKSMKKVJAKBCB-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 91644529
N-(6-chloro-5-methyl-3-pyridinyl)propane-2-sulfonamide
CID 103744914
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)cyclohexanesulfonamide
CID 103744873

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide (CID 103744848) is 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is JAKSMKKVJAKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-3-4-10(14)6-12(8)20(18,19)17-11-5-9(2)13(15)16-7-11/h3-7,17H,1-2H3.
What are the key properties of 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103744848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).