6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole

C15H10F5NO2S — CID 60603664

IUPAC6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H10F5NO2S/c16-10-2-1-9-5-6-21(14(9)7-10)24(22,23)11-3-4-13(17)12(8-11)15(18,19)20/h1-4,7-8H,5-6H2
InChIKeyQFUOIONQECKWLO-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.73
Rot. Bonds2

About 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole

6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 60603664) has the molecular formula C15H10F5NO2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID60603664
Molecular FormulaC15H10F5NO2S
Molecular Weight363.31 g/mol
Exact Mass363.04
IUPAC Name6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H10F5NO2S/c16-10-2-1-9-5-6-21(14(9)7-10)24(22,23)11-3-4-13(17)12(8-11)15(18,19)20/h1-4,7-8H,5-6H2
InChIKeyQFUOIONQECKWLO-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole (CID 60603664) is 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is QFUOIONQECKWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO2S/c16-10-2-1-9-5-6-21(14(9)7-10)24(22,23)11-3-4-13(17)12(8-11)15(18,19)20/h1-4,7-8H,5-6H2.
What are the key properties of 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole?
6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 363.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 60603664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).