3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole

C16H14FNS — CID 4296703

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole
SMILESCn1cc(SCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNS/c1-18-10-16(14-4-2-3-5-15(14)18)19-11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3
InChIKeySGYNBIIIBATGHX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.61
Rot. Bonds3

About 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole

3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole (PubChem CID 4296703) has the molecular formula C16H14FNS and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole
PubChem CID4296703
Molecular FormulaC16H14FNS
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole
SMILESCn1cc(SCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNS/c1-18-10-16(14-4-2-3-5-15(14)18)19-11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3
InChIKeySGYNBIIIBATGHX-UHFFFAOYSA-N
XLogP4.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole (CID 4296703) is 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole is Cn1cc(SCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole?
The InChIKey is SGYNBIIIBATGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNS/c1-18-10-16(14-4-2-3-5-15(14)18)19-11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole?
3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole has a molecular weight of 271.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-1-methylindole is sourced from PubChem (CID 4296703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).