2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole

C21H16FNOS — CID 58119409

IUPAC2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole
SMILESCS(=O)c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2
InChIInChI=1S/C21H16FNOS/c1-25(24)17-10-11-20-16(12-17)13-21(23-20)15-8-6-14(7-9-15)18-4-2-3-5-19(18)22/h2-12H,13H2,1H3
InChIKeyUXAIUEFDGFUMKD-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.91
Rot. Bonds3

About 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole

2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole (PubChem CID 58119409) has the molecular formula C21H16FNOS and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole
PubChem CID58119409
Molecular FormulaC21H16FNOS
Molecular Weight349.43 g/mol
Exact Mass349.09
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole
SMILESCS(=O)c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2
InChIInChI=1S/C21H16FNOS/c1-25(24)17-10-11-20-16(12-17)13-21(23-20)15-8-6-14(7-9-15)18-4-2-3-5-19(18)22/h2-12H,13H2,1H3
InChIKeyUXAIUEFDGFUMKD-UHFFFAOYSA-N
XLogP4.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole (CID 58119409) is 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole is CS(=O)c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole?
The InChIKey is UXAIUEFDGFUMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNOS/c1-25(24)17-10-11-20-16(12-17)13-21(23-20)15-8-6-14(7-9-15)18-4-2-3-5-19(18)22/h2-12H,13H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole?
2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole has a molecular weight of 349.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole is sourced from PubChem (CID 58119409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).