5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one

C10H7BrF3NO2S — CID 71611302

IUPAC5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one
SMILESCSc1cc2c(cc1Br)C(O)(C(F)(F)F)C(=O)N2
InChIInChI=1S/C10H7BrF3NO2S/c1-18-7-3-6-4(2-5(7)11)9(17,8(16)15-6)10(12,13)14/h2-3,17H,1H3,(H,15,16)
InChIKeyNUWLFGLSGCJGQJ-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.87
Rot. Bonds1

About 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one

5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 71611302) has the molecular formula C10H7BrF3NO2S and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID71611302
Molecular FormulaC10H7BrF3NO2S
Molecular Weight342.14 g/mol
Exact Mass340.93
IUPAC Name5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one
SMILESCSc1cc2c(cc1Br)C(O)(C(F)(F)F)C(=O)N2
InChIInChI=1S/C10H7BrF3NO2S/c1-18-7-3-6-4(2-5(7)11)9(17,8(16)15-6)10(12,13)14/h2-3,17H,1H3,(H,15,16)
InChIKeyNUWLFGLSGCJGQJ-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one (CID 71611302) is 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one is CSc1cc2c(cc1Br)C(O)(C(F)(F)F)C(=O)N2.
What is the InChIKey of 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is NUWLFGLSGCJGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO2S/c1-18-7-3-6-4(2-5(7)11)9(17,8(16)15-6)10(12,13)14/h2-3,17H,1H3,(H,15,16).
What are the key properties of 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 342.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 71611302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).