6-bromo-1-(2-methylphenyl)sulfonylindole

C15H12BrNO2S — CID 66766049

IUPAC6-bromo-1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2ccc(Br)cc21
InChIInChI=1S/C15H12BrNO2S/c1-11-4-2-3-5-15(11)20(18,19)17-9-8-12-6-7-13(16)10-14(12)17/h2-10H,1H3
InChIKeyCGXRXCQXGVXMLE-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.95
Rot. Bonds2

About 6-bromo-1-(2-methylphenyl)sulfonylindole

6-bromo-1-(2-methylphenyl)sulfonylindole (PubChem CID 66766049) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 6-bromo-1-(2-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-bromo-1-(2-methylphenyl)sulfonylindole
PubChem CID66766049
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name6-bromo-1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2ccc(Br)cc21
InChIInChI=1S/C15H12BrNO2S/c1-11-4-2-3-5-15(11)20(18,19)17-9-8-12-6-7-13(16)10-14(12)17/h2-10H,1H3
InChIKeyCGXRXCQXGVXMLE-UHFFFAOYSA-N
XLogP3.95
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-(2-methylphenyl)sulfonylindole 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 6-bromo-1-(2-methylphenyl)sulfonylindole?
The IUPAC name of 6-bromo-1-(2-methylphenyl)sulfonylindole (CID 66766049) is 6-bromo-1-(2-methylphenyl)sulfonylindole.
What is the SMILES notation for 6-bromo-1-(2-methylphenyl)sulfonylindole?
The canonical SMILES for 6-bromo-1-(2-methylphenyl)sulfonylindole is Cc1ccccc1S(=O)(=O)n1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(2-methylphenyl)sulfonylindole?
The InChIKey is CGXRXCQXGVXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-11-4-2-3-5-15(11)20(18,19)17-9-8-12-6-7-13(16)10-14(12)17/h2-10H,1H3.
What are the key properties of 6-bromo-1-(2-methylphenyl)sulfonylindole?
6-bromo-1-(2-methylphenyl)sulfonylindole has a molecular weight of 350.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-methylphenyl)sulfonylindole is sourced from PubChem (CID 66766049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).