1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole

C22H17F2NS — CID 5077989

IUPAC1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
SMILESFc1cccc(CSc2cn(Cc3cccc(F)c3)c3ccccc23)c1
InChIInChI=1S/C22H17F2NS/c23-18-7-3-5-16(11-18)13-25-14-22(20-9-1-2-10-21(20)25)26-15-17-6-4-8-19(24)12-17/h1-12,14H,13,15H2
InChIKeyRCAMLSGTNQTNQF-UHFFFAOYSA-N
MW365.45 g/mol
LogP6.26
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole

1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole (PubChem CID 5077989) has the molecular formula C22H17F2NS and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
PubChem CID5077989
Molecular FormulaC22H17F2NS
Molecular Weight365.45 g/mol
Exact Mass365.10
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
SMILESFc1cccc(CSc2cn(Cc3cccc(F)c3)c3ccccc23)c1
InChIInChI=1S/C22H17F2NS/c23-18-7-3-5-16(11-18)13-25-14-22(20-9-1-2-10-21(20)25)26-15-17-6-4-8-19(24)12-17/h1-12,14H,13,15H2
InChIKeyRCAMLSGTNQTNQF-UHFFFAOYSA-N
XLogP6.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 5055902
1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone
CID 4176600
3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
1-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]indole
CID 23734789
2-(chloroamino)-3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 87584825
3-benzhydrylsulfanyl-1-[(3-methylphenyl)methyl]indole
CID 43949235
1-methyl-3-[(3-methylphenyl)methylsulfanyl]indole
CID 43949269
1-pyrrolidin-1-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfanylethanone
CID 178072281

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole (CID 5077989) is 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole is Fc1cccc(CSc2cn(Cc3cccc(F)c3)c3ccccc23)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole?
The InChIKey is RCAMLSGTNQTNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NS/c23-18-7-3-5-16(11-18)13-25-14-22(20-9-1-2-10-21(20)25)26-15-17-6-4-8-19(24)12-17/h1-12,14H,13,15H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole?
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole has a molecular weight of 365.45 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole is sourced from PubChem (CID 5077989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).