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

C15H16ClNO2S — CID 1488511

IUPAC2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1
InChIInChI=1S/C15H16ClNO2S/c1-9-6-5-7-10(2)13(9)20(18,19)14-11(3)8-12(4)17-15(14)16/h5-8H,1-4H3
InChIKeyXGKFNVJGJWBCCT-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.80
Rot. Bonds2

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

2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine (PubChem CID 1488511) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine
PubChem CID1488511
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1
InChIInChI=1S/C15H16ClNO2S/c1-9-6-5-7-10(2)13(9)20(18,19)14-11(3)8-12(4)17-15(14)16/h5-8H,1-4H3
InChIKeyXGKFNVJGJWBCCT-UHFFFAOYSA-N
XLogP3.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.80
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-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine (CID 1488511) is 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine is Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine?
The InChIKey is XGKFNVJGJWBCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-9-6-5-7-10(2)13(9)20(18,19)14-11(3)8-12(4)17-15(14)16/h5-8H,1-4H3.
What are the key properties of 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine?
2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine has a molecular weight of 309.82 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethylpyridine is sourced from PubChem (CID 1488511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).