2-bromo-5-chloro-1-methylsulfonylindole

C9H7BrClNO2S — CID 102054246

IUPAC2-bromo-5-chloro-1-methylsulfonylindole
SMILESCS(=O)(=O)n1c(Br)cc2cc(Cl)ccc21
InChIInChI=1S/C9H7BrClNO2S/c1-15(13,14)12-8-3-2-7(11)4-6(8)5-9(12)10/h2-5H,1H3
InChIKeyYKACXSVFVHITIR-UHFFFAOYSA-N
MW308.58 g/mol
LogP2.86
Rot. Bonds1

About 2-bromo-5-chloro-1-methylsulfonylindole

2-bromo-5-chloro-1-methylsulfonylindole (PubChem CID 102054246) has the molecular formula C9H7BrClNO2S and a molecular weight of 308.58 g/mol. Its IUPAC name is 2-bromo-5-chloro-1-methylsulfonylindole.

Molecular Properties

Compound Name2-bromo-5-chloro-1-methylsulfonylindole
PubChem CID102054246
Molecular FormulaC9H7BrClNO2S
Molecular Weight308.58 g/mol
Exact Mass306.91
IUPAC Name2-bromo-5-chloro-1-methylsulfonylindole
SMILESCS(=O)(=O)n1c(Br)cc2cc(Cl)ccc21
InChIInChI=1S/C9H7BrClNO2S/c1-15(13,14)12-8-3-2-7(11)4-6(8)5-9(12)10/h2-5H,1H3
InChIKeyYKACXSVFVHITIR-UHFFFAOYSA-N
XLogP2.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-chloro-1-methylsulfonylindole 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 2-bromo-5-chloro-1-methylsulfonylindole?
The IUPAC name of 2-bromo-5-chloro-1-methylsulfonylindole (CID 102054246) is 2-bromo-5-chloro-1-methylsulfonylindole.
What is the SMILES notation for 2-bromo-5-chloro-1-methylsulfonylindole?
The canonical SMILES for 2-bromo-5-chloro-1-methylsulfonylindole is CS(=O)(=O)n1c(Br)cc2cc(Cl)ccc21.
What is the InChIKey of 2-bromo-5-chloro-1-methylsulfonylindole?
The InChIKey is YKACXSVFVHITIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO2S/c1-15(13,14)12-8-3-2-7(11)4-6(8)5-9(12)10/h2-5H,1H3.
What are the key properties of 2-bromo-5-chloro-1-methylsulfonylindole?
2-bromo-5-chloro-1-methylsulfonylindole has a molecular weight of 308.58 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-1-methylsulfonylindole is sourced from PubChem (CID 102054246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).