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

C13H11Cl2NO2S — CID 1488385

IUPAC2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-5-3-10(14)4-6-11/h3-7H,1-2H3
InChIKeyGIPBZUQWTCRPFG-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.84
Rot. Bonds2

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

2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine (PubChem CID 1488385) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine
PubChem CID1488385
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1
InChIInChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-5-3-10(14)4-6-11/h3-7H,1-2H3
InChIKeyGIPBZUQWTCRPFG-UHFFFAOYSA-N
XLogP3.84
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine
CID 34365759
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
3-(3-chloro-4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326178
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide
CID 76852484
2-[(R)-(4-methoxyphenyl)methylsulfinyl]-4,6-dimethyl-3-(4-methylphenyl)sulfonylpyridine
CID 35549148
potassium 4-(4-chlorophenyl)sulfonylphenolate
CID 23704030
4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
CID 555200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine (CID 1488385) is 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine is Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
The InChIKey is GIPBZUQWTCRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-8-7-9(2)16-13(15)12(8)19(17,18)11-5-3-10(14)4-6-11/h3-7H,1-2H3.
What are the key properties of 2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine?
2-chloro-3-(4-chlorophenyl)sulfonyl-4,6-dimethylpyridine has a molecular weight of 316.21 g/mol, XLogP of 3.84, 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-chlorophenyl)sulfonyl-4,6-dimethylpyridine is sourced from PubChem (CID 1488385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).