3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole

C17H16FNS — CID 91803673

IUPAC3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole
SMILESCCc1ccccc1Sc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H16FNS/c1-3-12-6-4-5-7-16(12)20-17-11(2)19-15-9-8-13(18)10-14(15)17/h4-10,19H,3H2,1-2H3
InChIKeyGMMUZJHYOWVUGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.33
Rot. Bonds3

About 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole

3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole (PubChem CID 91803673) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole
PubChem CID91803673
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole
SMILESCCc1ccccc1Sc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H16FNS/c1-3-12-6-4-5-7-16(12)20-17-11(2)19-15-9-8-13(18)10-14(15)17/h4-10,19H,3H2,1-2H3
InChIKeyGMMUZJHYOWVUGY-UHFFFAOYSA-N
XLogP5.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole?
The IUPAC name of 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole (CID 91803673) is 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole.
What is the SMILES notation for 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole?
The canonical SMILES for 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole is CCc1ccccc1Sc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole?
The InChIKey is GMMUZJHYOWVUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c1-3-12-6-4-5-7-16(12)20-17-11(2)19-15-9-8-13(18)10-14(15)17/h4-10,19H,3H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole?
3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole has a molecular weight of 285.39 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole is sourced from PubChem (CID 91803673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).