1-(4-methylsulfonylphenyl)indole

C15H13NO2S — CID 11958319

IUPAC1-(4-methylsulfonylphenyl)indole
SMILESCS(=O)(=O)c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C15H13NO2S/c1-19(17,18)14-8-6-13(7-9-14)16-11-10-12-4-2-3-5-15(12)16/h2-11H,1H3
InChIKeyXRGCFRFZQVGLLT-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)indole

1-(4-methylsulfonylphenyl)indole (PubChem CID 11958319) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)indole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)indole
PubChem CID11958319
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name1-(4-methylsulfonylphenyl)indole
SMILESCS(=O)(=O)c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C15H13NO2S/c1-19(17,18)14-8-6-13(7-9-14)16-11-10-12-4-2-3-5-15(12)16/h2-11H,1H3
InChIKeyXRGCFRFZQVGLLT-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)indole?
The IUPAC name of 1-(4-methylsulfonylphenyl)indole (CID 11958319) is 1-(4-methylsulfonylphenyl)indole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)indole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)indole is CS(=O)(=O)c1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)indole?
The InChIKey is XRGCFRFZQVGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-19(17,18)14-8-6-13(7-9-14)16-11-10-12-4-2-3-5-15(12)16/h2-11H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)indole?
1-(4-methylsulfonylphenyl)indole has a molecular weight of 271.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)indole is sourced from PubChem (CID 11958319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).