2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine

C14H13ClFNO2S — CID 1476556

IUPAC2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2cc(F)ccc2C)c(Cl)n1
InChIInChI=1S/C14H13ClFNO2S/c1-8-4-5-11(16)7-12(8)20(18,19)13-9(2)6-10(3)17-14(13)15/h4-7H,1-3H3
InChIKeyYSEMMZFTEPAEGT-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.63
Rot. Bonds2

About 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine

2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine (PubChem CID 1476556) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine
PubChem CID1476556
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2cc(F)ccc2C)c(Cl)n1
InChIInChI=1S/C14H13ClFNO2S/c1-8-4-5-11(16)7-12(8)20(18,19)13-9(2)6-10(3)17-14(13)15/h4-7H,1-3H3
InChIKeyYSEMMZFTEPAEGT-UHFFFAOYSA-N
XLogP3.63
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.63
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-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine (CID 1476556) is 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine is Cc1cc(C)c(S(=O)(=O)c2cc(F)ccc2C)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
The InChIKey is YSEMMZFTEPAEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-8-4-5-11(16)7-12(8)20(18,19)13-9(2)6-10(3)17-14(13)15/h4-7H,1-3H3.
What are the key properties of 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine has a molecular weight of 313.78 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(5-fluoro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine is sourced from PubChem (CID 1476556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).