2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile

C17H15FN2S — CID 103495528

IUPAC2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESCCSc1cccc(N2CCc3ccc(F)cc32)c1C#N
InChIInChI=1S/C17H15FN2S/c1-2-21-17-5-3-4-15(14(17)11-19)20-9-8-12-6-7-13(18)10-16(12)20/h3-7,10H,2,8-9H2,1H3
InChIKeyHRVITHTVCOKTQB-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.50
Rot. Bonds3

About 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile

2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 103495528) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID103495528
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESCCSc1cccc(N2CCc3ccc(F)cc32)c1C#N
InChIInChI=1S/C17H15FN2S/c1-2-21-17-5-3-4-15(14(17)11-19)20-9-8-12-6-7-13(18)10-16(12)20/h3-7,10H,2,8-9H2,1H3
InChIKeyHRVITHTVCOKTQB-UHFFFAOYSA-N
XLogP4.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
(1R)-1-[2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103498371
2-(3,6-dihydro-2H-pyridin-1-yl)-6-ethylsulfanylbenzonitrile
CID 114409996
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103494010
2-ethylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzonitrile
CID 114536901
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
2-ethylsulfanyl-6-[(3S)-3-methylpiperazin-1-yl]benzonitrile
CID 104977615
1-(2-cyano-3-ethylsulfanylphenyl)pyrrole-2-carbonitrile
CID 114650795
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
CID 103494011
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (CID 103495528) is 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is CCSc1cccc(N2CCc3ccc(F)cc32)c1C#N.
What is the InChIKey of 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is HRVITHTVCOKTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-2-21-17-5-3-4-15(14(17)11-19)20-9-8-12-6-7-13(18)10-16(12)20/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 298.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 103495528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).