1-(2-methylphenyl)sulfonylindole

C15H13NO2S — CID 53400635

IUPAC1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-12-6-2-5-9-15(12)19(17,18)16-11-10-13-7-3-4-8-14(13)16/h2-11H,1H3
InChIKeyUEISRRONCAGDMZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-methylphenyl)sulfonylindole

1-(2-methylphenyl)sulfonylindole (PubChem CID 53400635) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonylindole
PubChem CID53400635
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-12-6-2-5-9-15(12)19(17,18)16-11-10-13-7-3-4-8-14(13)16/h2-11H,1H3
InChIKeyUEISRRONCAGDMZ-UHFFFAOYSA-N
XLogP3.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 1-(2-methylphenyl)sulfonylindole?
The IUPAC name of 1-(2-methylphenyl)sulfonylindole (CID 53400635) is 1-(2-methylphenyl)sulfonylindole.
What is the SMILES notation for 1-(2-methylphenyl)sulfonylindole?
The canonical SMILES for 1-(2-methylphenyl)sulfonylindole is Cc1ccccc1S(=O)(=O)n1ccc2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)sulfonylindole?
The InChIKey is UEISRRONCAGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-12-6-2-5-9-15(12)19(17,18)16-11-10-13-7-3-4-8-14(13)16/h2-11H,1H3.
What are the key properties of 1-(2-methylphenyl)sulfonylindole?
1-(2-methylphenyl)sulfonylindole has a molecular weight of 271.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonylindole is sourced from PubChem (CID 53400635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).