3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole

C15H10F3NOS — CID 102584538

IUPAC3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
SMILESFC(F)(F)Oc1ccc(Sc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)20-10-5-7-11(8-6-10)21-14-9-19-13-4-2-1-3-12(13)14/h1-9,19H
InChIKeyULOLAXUYUQAOOW-UHFFFAOYSA-N
MW309.31 g/mol
LogP5.22
Rot. Bonds3

About 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole

3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole (PubChem CID 102584538) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
PubChem CID102584538
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
SMILESFC(F)(F)Oc1ccc(Sc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)20-10-5-7-11(8-6-10)21-14-9-19-13-4-2-1-3-12(13)14/h1-9,19H
InChIKeyULOLAXUYUQAOOW-UHFFFAOYSA-N
XLogP5.22
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.31
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
fluoro 2-[4-(trifluoromethoxy)phenyl]sulfanylbenzoate
CID 69186950
3-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole;dihydrochloride
CID 171285015
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
4-[4-(trifluoromethoxy)phenyl]sulfanylbenzenethiol
CID 177164291
3-methoxysulfanyl-1H-indole
CID 141186328
(1S)-2-(1H-indol-3-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 122581736
S-[4-(trifluoromethoxy)phenyl]thiohydroxylamine
CID 87768766
5-(1H-indol-3-yl)-N-[4-(trifluoromethoxy)phenyl]-1λ3-ioda-2,6-diazacyclohexa-2,4,6-trien-3-amine
CID 162600606
3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 118710075
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2090352
5-bromo-3-(4-phenylphenyl)sulfanyl-1H-indole
CID 155411151

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole (CID 102584538) is 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole is FC(F)(F)Oc1ccc(Sc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole?
The InChIKey is ULOLAXUYUQAOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)20-10-5-7-11(8-6-10)21-14-9-19-13-4-2-1-3-12(13)14/h1-9,19H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole?
3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole has a molecular weight of 309.31 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole is sourced from PubChem (CID 102584538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).