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

C21H16FNS — CID 58119406

IUPAC2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole
SMILESCSc1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2
InChIInChI=1S/C21H16FNS/c1-24-17-10-11-20-16(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
InChIKeyIMJUQONMNGAVLT-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.89
Rot. Bonds3

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

2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole (PubChem CID 58119406) has the molecular formula C21H16FNS and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole
PubChem CID58119406
Molecular FormulaC21H16FNS
Molecular Weight333.43 g/mol
Exact Mass333.10
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole
SMILESCSc1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2
InChIInChI=1S/C21H16FNS/c1-24-17-10-11-20-16(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
InChIKeyIMJUQONMNGAVLT-UHFFFAOYSA-N
XLogP5.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methylphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 2728660
2-(4-Fluorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 139217277
2-(4-Fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 16069733
N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
CID 22031851
Benzhydrylidene-(2-fluoro-5-methylsulfanylphenyl)-amine
CID 22031902
5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole
CID 58119401
2-[4-(2-fluorophenyl)phenyl]-3H-indole-5-sulfonamide
CID 58119408
2-[4-(2-fluorophenyl)phenyl]-5-methylsulfinyl-3H-indole
CID 58119409
[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane
CID 58119424
2-[4-(2-fluorophenyl)phenyl]-N,N-dimethyl-3H-indole-5-sulfonamide
CID 58119435
3-(3-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438016
3-(4-fluorophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438017

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole (CID 58119406) is 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole is CSc1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole?
The InChIKey is IMJUQONMNGAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNS/c1-24-17-10-11-20-16(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-methylsulfanyl-3H-indole?
2-[4-(2-fluorophenyl)phenyl]-5-methylsulfanyl-3H-indole has a molecular weight of 333.43 g/mol, XLogP of 5.89, 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-methylsulfanyl-3H-indole is sourced from PubChem (CID 58119406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).