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

C15H16ClNO2S — CID 1487336

IUPAC2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCCc1ccccc1S(=O)(=O)c1c(C)cc(C)nc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-4-12-7-5-6-8-13(12)20(18,19)14-10(2)9-11(3)17-15(14)16/h5-9H,4H2,1-3H3
InChIKeyWLMLWIOASOGEPT-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.75
Rot. Bonds3

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

2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine (PubChem CID 1487336) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine
PubChem CID1487336
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCCc1ccccc1S(=O)(=O)c1c(C)cc(C)nc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-4-12-7-5-6-8-13(12)20(18,19)14-10(2)9-11(3)17-15(14)16/h5-9H,4H2,1-3H3
InChIKeyWLMLWIOASOGEPT-UHFFFAOYSA-N
XLogP3.75
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.75
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

2-Chloro-3-[(4-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1476563
2-({2-[(4-Chlorobenzyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
CID 1160042
2-Chloro-3-[(4-chloro-2-methylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1471035
3-(Benzenesulfonyl)-2-chloro-4,6-dimethylpyridine
CID 1486628
2-(Isobutylsulfanyl)-4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]pyridine
CID 1487304
2-Chloro-3-[(3-chlorophenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488384
2-Chloro-3-[(2,6-dimethylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488511
4,6-Dimethyl-3-[(2-methylphenyl)sulfonyl]-2-(propylsulfanyl)pyridine
CID 2768947
2-(Ethylsulfanyl)-4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]pyridine
CID 2768958
3-{[4-(Tert-butyl)phenyl]sulfonyl}-2-chloro-4,6-dimethylpyridine
CID 1474370
2-Chloro-3-[(5-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1476556
3-(Benzylsulfonyl)-2-chloro-4,6-dimethylpyridine
CID 1479287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine (CID 1487336) is 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine is CCc1ccccc1S(=O)(=O)c1c(C)cc(C)nc1Cl.
What is the InChIKey of 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine?
The InChIKey is WLMLWIOASOGEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-4-12-7-5-6-8-13(12)20(18,19)14-10(2)9-11(3)17-15(14)16/h5-9H,4H2,1-3H3.
What are the key properties of 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine?
2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine has a molecular weight of 309.82 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-ethylphenyl)sulfonyl-4,6-dimethylpyridine is sourced from PubChem (CID 1487336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).