4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole

C15H11BrClNS — CID 121004885

IUPAC4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
SMILESCc1[nH]c2cccc(Br)c2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNS/c1-9-15(19-11-7-5-10(17)6-8-11)14-12(16)3-2-4-13(14)18-9/h2-8,18H,1H3
InChIKeyFUJMDIBAVWAWEK-UHFFFAOYSA-N
MW352.68 g/mol
LogP6.04
Rot. Bonds2

About 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole

4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole (PubChem CID 121004885) has the molecular formula C15H11BrClNS and a molecular weight of 352.68 g/mol. Its IUPAC name is 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole.

Molecular Properties

Compound Name4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
PubChem CID121004885
Molecular FormulaC15H11BrClNS
Molecular Weight352.68 g/mol
Exact Mass350.95
IUPAC Name4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
SMILESCc1[nH]c2cccc(Br)c2c1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11BrClNS/c1-9-15(19-11-7-5-10(17)6-8-11)14-12(16)3-2-4-13(14)18-9/h2-8,18H,1H3
InChIKeyFUJMDIBAVWAWEK-UHFFFAOYSA-N
XLogP6.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-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 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole?
The IUPAC name of 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole (CID 121004885) is 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole.
What is the SMILES notation for 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole?
The canonical SMILES for 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole is Cc1[nH]c2cccc(Br)c2c1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole?
The InChIKey is FUJMDIBAVWAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNS/c1-9-15(19-11-7-5-10(17)6-8-11)14-12(16)3-2-4-13(14)18-9/h2-8,18H,1H3.
What are the key properties of 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole?
4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole has a molecular weight of 352.68 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole is sourced from PubChem (CID 121004885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).