3-benzylsulfanyl-2-phenyl-1H-indole

C21H17NS — CID 10852837

IUPAC3-benzylsulfanyl-2-phenyl-1H-indole
SMILESc1ccc(CSc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H17NS/c1-3-9-16(10-4-1)15-23-21-18-13-7-8-14-19(18)22-20(21)17-11-5-2-6-12-17/h1-14,22H,15H2
InChIKeyLVAIEVCBHUJDPT-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.13
Rot. Bonds4

About 3-benzylsulfanyl-2-phenyl-1H-indole

3-benzylsulfanyl-2-phenyl-1H-indole (PubChem CID 10852837) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-benzylsulfanyl-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-benzylsulfanyl-2-phenyl-1H-indole
PubChem CID10852837
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name3-benzylsulfanyl-2-phenyl-1H-indole
SMILESc1ccc(CSc2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H17NS/c1-3-9-16(10-4-1)15-23-21-18-13-7-8-14-19(18)22-20(21)17-11-5-2-6-12-17/h1-14,22H,15H2
InChIKeyLVAIEVCBHUJDPT-UHFFFAOYSA-N
XLogP6.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzylsulfanyl-2-phenyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-2-phenyl-1H-indole?
The IUPAC name of 3-benzylsulfanyl-2-phenyl-1H-indole (CID 10852837) is 3-benzylsulfanyl-2-phenyl-1H-indole.
What is the SMILES notation for 3-benzylsulfanyl-2-phenyl-1H-indole?
The canonical SMILES for 3-benzylsulfanyl-2-phenyl-1H-indole is c1ccc(CSc2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-benzylsulfanyl-2-phenyl-1H-indole?
The InChIKey is LVAIEVCBHUJDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-3-9-16(10-4-1)15-23-21-18-13-7-8-14-19(18)22-20(21)17-11-5-2-6-12-17/h1-14,22H,15H2.
What are the key properties of 3-benzylsulfanyl-2-phenyl-1H-indole?
3-benzylsulfanyl-2-phenyl-1H-indole has a molecular weight of 315.44 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-2-phenyl-1H-indole is sourced from PubChem (CID 10852837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).