ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole

C17H18FNS — CID 145058268

IUPACethane;1-(4-fluorophenyl)sulfanyl-2-methylindole
SMILESCC.Cc1cc2ccccc2n1Sc1ccc(F)cc1
InChIInChI=1S/C15H12FNS.C2H6/c1-11-10-12-4-2-3-5-15(12)17(11)18-14-8-6-13(16)7-9-14;1-2/h2-10H,1H3;1-2H3
InChIKeyOTYBKRIZLVWJTJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP5.67
Rot. Bonds2

About ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole

ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole (PubChem CID 145058268) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)sulfanyl-2-methylindole
PubChem CID145058268
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Nameethane;1-(4-fluorophenyl)sulfanyl-2-methylindole
SMILESCC.Cc1cc2ccccc2n1Sc1ccc(F)cc1
InChIInChI=1S/C15H12FNS.C2H6/c1-11-10-12-4-2-3-5-15(12)17(11)18-14-8-6-13(16)7-9-14;1-2/h2-10H,1H3;1-2H3
InChIKeyOTYBKRIZLVWJTJ-UHFFFAOYSA-N
XLogP5.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole?
The IUPAC name of ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole (CID 145058268) is ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole.
What is the SMILES notation for ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole?
The canonical SMILES for ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole is CC.Cc1cc2ccccc2n1Sc1ccc(F)cc1.
What is the InChIKey of ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole?
The InChIKey is OTYBKRIZLVWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNS.C2H6/c1-11-10-12-4-2-3-5-15(12)17(11)18-14-8-6-13(16)7-9-14;1-2/h2-10H,1H3;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole?
ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole has a molecular weight of 287.40 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)sulfanyl-2-methylindole is sourced from PubChem (CID 145058268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).