6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine

C10H7Cl2N3O2S — CID 10924717

IUPAC6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine
SMILESCS(=O)(=O)c1ncc(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H7Cl2N3O2S/c1-18(16,17)10-13-5-9(14-15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyYILKBJGKTAQYJV-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.25
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine

6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine (PubChem CID 10924717) has the molecular formula C10H7Cl2N3O2S and a molecular weight of 304.16 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine
PubChem CID10924717
Molecular FormulaC10H7Cl2N3O2S
Molecular Weight304.16 g/mol
Exact Mass302.96
IUPAC Name6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine
SMILESCS(=O)(=O)c1ncc(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H7Cl2N3O2S/c1-18(16,17)10-13-5-9(14-15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyYILKBJGKTAQYJV-UHFFFAOYSA-N
XLogP2.25
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,6-bis(methylsulfonyl)pyrimidine
CID 59753883
1-[4-(2,4-dichlorophenyl)-2,6-bis(methylsulfonyl)pyrimidin-5-yl]ethanone
CID 69198047
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
CID 54586637
[4-(2,4-dichlorophenyl)-6-methyl-2-methylsulfonylpyrimidin-5-yl] acetate
CID 59753900
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
5-(2,4-dichlorophenyl)-3-methylpyridazine
CID 11958263
2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine
CID 57336160
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol
CID 133088589

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine?
The IUPAC name of 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine (CID 10924717) is 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine is CS(=O)(=O)c1ncc(-c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine?
The InChIKey is YILKBJGKTAQYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2S/c1-18(16,17)10-13-5-9(14-15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine?
6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine has a molecular weight of 304.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine is sourced from PubChem (CID 10924717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).