1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole

C15H9Cl2F3N2S — CID 15278606

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole
SMILESCSc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2F3N2S/c1-23-10-3-2-8-7-21-22(13(8)6-10)14-11(16)4-9(5-12(14)17)15(18,19)20/h2-7H,1H3
InChIKeyJOQBCLFDMYQERM-UHFFFAOYSA-N
MW377.22 g/mol
LogP6.07
Rot. Bonds2

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole (PubChem CID 15278606) has the molecular formula C15H9Cl2F3N2S and a molecular weight of 377.22 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole
PubChem CID15278606
Molecular FormulaC15H9Cl2F3N2S
Molecular Weight377.22 g/mol
Exact Mass375.98
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole
SMILESCSc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2F3N2S/c1-23-10-3-2-8-7-21-22(13(8)6-10)14-11(16)4-9(5-12(14)17)15(18,19)20/h2-7H,1H3
InChIKeyJOQBCLFDMYQERM-UHFFFAOYSA-N
XLogP6.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.22
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole (CID 15278606) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole is CSc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole?
The InChIKey is JOQBCLFDMYQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2S/c1-23-10-3-2-8-7-21-22(13(8)6-10)14-11(16)4-9(5-12(14)17)15(18,19)20/h2-7H,1H3.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole has a molecular weight of 377.22 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-methylsulfanylindazole is sourced from PubChem (CID 15278606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).