2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine

C13H11Cl2NO2S — CID 1471060

IUPAC2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3
InChIKeyVZEHWEXZTGVCKD-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.84
Rot. Bonds2

About 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine

2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine (PubChem CID 1471060) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine
PubChem CID1471060
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3
InChIKeyVZEHWEXZTGVCKD-UHFFFAOYSA-N
XLogP3.84
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine (CID 1471060) is 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine is Cc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
The InChIKey is VZEHWEXZTGVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3.
What are the key properties of 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine has a molecular weight of 316.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chlorophenyl)sulfonyl-4,6-dimethylpyridine is sourced from PubChem (CID 1471060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).