2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide

C13H11Cl2FN2O2S — CID 61050922

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H11Cl2FN2O2S/c1-18(8-10-11(14)3-2-4-12(10)16)21(19,20)9-5-6-17-13(15)7-9/h2-7H,8H2,1H3
InChIKeyYJMBMEFWBXELDB-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide (PubChem CID 61050922) has the molecular formula C13H11Cl2FN2O2S and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
PubChem CID61050922
Molecular FormulaC13H11Cl2FN2O2S
Molecular Weight349.21 g/mol
Exact Mass347.99
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H11Cl2FN2O2S/c1-18(8-10-11(14)3-2-4-12(10)16)21(19,20)9-5-6-17-13(15)7-9/h2-7H,8H2,1H3
InChIKeyYJMBMEFWBXELDB-UHFFFAOYSA-N
XLogP3.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61127332
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 31534328
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
CID 35303260
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 61045211
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
CID 112811399
2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
CID 61003109
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide (CID 61050922) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide is CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
The InChIKey is YJMBMEFWBXELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O2S/c1-18(8-10-11(14)3-2-4-12(10)16)21(19,20)9-5-6-17-13(15)7-9/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide has a molecular weight of 349.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 61050922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).