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

C14H13Cl2NO2S — CID 1471035

IUPAC2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2C)c(Cl)n1
InChIInChI=1S/C14H13Cl2NO2S/c1-8-7-11(15)4-5-12(8)20(18,19)13-9(2)6-10(3)17-14(13)16/h4-7H,1-3H3
InChIKeyKXPFNZUROOTRMX-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.15
Rot. Bonds2

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

2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine (PubChem CID 1471035) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine
PubChem CID1471035
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2C)c(Cl)n1
InChIInChI=1S/C14H13Cl2NO2S/c1-8-7-11(15)4-5-12(8)20(18,19)13-9(2)6-10(3)17-14(13)16/h4-7H,1-3H3
InChIKeyKXPFNZUROOTRMX-UHFFFAOYSA-N
XLogP4.15
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.15
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
3-(Benzenesulfonyl)-2-chloro-4,6-dimethylpyridine
CID 1486628
2-Chloro-3-[(3-chlorophenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488384
2-Chloro-3-[(2,6-dimethylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488511
2-chloro-6-[(Z)-2-(2-chlorophenyl)sulfonylethenyl]pyridine
CID 162647561
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
2-Chloro-3-[(2,5-dimethylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1487322
2-Chloro-3-[(2-ethylphenyl)sulfonyl]-4,6-dimethylpyridine
CID 1487336
2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile
CID 1086336
2-Chloro-3-[(4-chlorophenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488385

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine (CID 1471035) is 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine is Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2C)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
The InChIKey is KXPFNZUROOTRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-8-7-11(15)4-5-12(8)20(18,19)13-9(2)6-10(3)17-14(13)16/h4-7H,1-3H3.
What are the key properties of 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine?
2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine has a molecular weight of 330.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chloro-2-methylphenyl)sulfonyl-4,6-dimethylpyridine is sourced from PubChem (CID 1471035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).