1-bromo-3-(trifluoromethylsulfanyl)indole

C9H5BrF3NS — CID 174884896

IUPAC1-bromo-3-(trifluoromethylsulfanyl)indole
SMILESFC(F)(F)Sc1cn(Br)c2ccccc12
InChIInChI=1S/C9H5BrF3NS/c10-14-5-8(15-9(11,12)13)6-3-1-2-4-7(6)14/h1-5H
InChIKeySOCIQFLZBYQCCH-UHFFFAOYSA-N
MW296.11 g/mol
LogP4.41
Rot. Bonds1

About 1-bromo-3-(trifluoromethylsulfanyl)indole

1-bromo-3-(trifluoromethylsulfanyl)indole (PubChem CID 174884896) has the molecular formula C9H5BrF3NS and a molecular weight of 296.11 g/mol. Its IUPAC name is 1-bromo-3-(trifluoromethylsulfanyl)indole.

Molecular Properties

Compound Name1-bromo-3-(trifluoromethylsulfanyl)indole
PubChem CID174884896
Molecular FormulaC9H5BrF3NS
Molecular Weight296.11 g/mol
Exact Mass294.93
IUPAC Name1-bromo-3-(trifluoromethylsulfanyl)indole
SMILESFC(F)(F)Sc1cn(Br)c2ccccc12
InChIInChI=1S/C9H5BrF3NS/c10-14-5-8(15-9(11,12)13)6-3-1-2-4-7(6)14/h1-5H
InChIKeySOCIQFLZBYQCCH-UHFFFAOYSA-N
XLogP4.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(trifluoromethylsulfanyl)indole?
The IUPAC name of 1-bromo-3-(trifluoromethylsulfanyl)indole (CID 174884896) is 1-bromo-3-(trifluoromethylsulfanyl)indole.
What is the SMILES notation for 1-bromo-3-(trifluoromethylsulfanyl)indole?
The canonical SMILES for 1-bromo-3-(trifluoromethylsulfanyl)indole is FC(F)(F)Sc1cn(Br)c2ccccc12.
What is the InChIKey of 1-bromo-3-(trifluoromethylsulfanyl)indole?
The InChIKey is SOCIQFLZBYQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3NS/c10-14-5-8(15-9(11,12)13)6-3-1-2-4-7(6)14/h1-5H.
What are the key properties of 1-bromo-3-(trifluoromethylsulfanyl)indole?
1-bromo-3-(trifluoromethylsulfanyl)indole has a molecular weight of 296.11 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(trifluoromethylsulfanyl)indole is sourced from PubChem (CID 174884896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).