2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine

C14H14ClNO2S — CID 1488389

IUPAC2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine
SMILESCc1cccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c1
InChIInChI=1S/C14H14ClNO2S/c1-9-5-4-6-12(7-9)19(17,18)13-10(2)8-11(3)16-14(13)15/h4-8H,1-3H3
InChIKeyXPULEIATCOLYCR-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine

2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine (PubChem CID 1488389) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine
PubChem CID1488389
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine
SMILESCc1cccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c1
InChIInChI=1S/C14H14ClNO2S/c1-9-5-4-6-12(7-9)19(17,18)13-10(2)8-11(3)16-14(13)15/h4-8H,1-3H3
InChIKeyXPULEIATCOLYCR-UHFFFAOYSA-N
XLogP3.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.49
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
N-(2-chloro-4,6-dimethylpyridin-3-yl)-4-methylbenzenesulfonamide
CID 684357
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
2-chloro-6-[(Z)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162647561
2-chloro-6-[(E)-2-(2-fluorophenyl)sulfonylethenyl]pyridine
CID 162674986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine?
The IUPAC name of 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine (CID 1488389) is 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine?
The canonical SMILES for 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine is Cc1cccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c1.
What is the InChIKey of 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine?
The InChIKey is XPULEIATCOLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9-5-4-6-12(7-9)19(17,18)13-10(2)8-11(3)16-14(13)15/h4-8H,1-3H3.
What are the key properties of 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine?
2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine has a molecular weight of 295.79 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-3-(3-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 1488389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).