1-methyl-2-(4-methylphenyl)sulfonylindole

Name: 1-methyl-2-(4-methylphenyl)sulfonylindole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₅NO₂S — CID 155569116

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-methyl-2-(4-methylphenyl)sulfonylindole

SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3n2C)cc1

InChIInChI=1S/C16H15NO2S/c1-12-7-9-14(10-8-12)20(18,19)16-11-13-5-3-4-6-15(13)17(16)2/h3-11H,1-2H3

InChIKeyQWVYIJSFJNYATI-UHFFFAOYSA-N

MW285.37 g/mol

LogP3.32

Rot. Bonds2

About 1-methyl-2-(4-methylphenyl)sulfonylindole

1-methyl-2-(4-methylphenyl)sulfonylindole (PubChem CID 155569116) has the molecular formula C₁₆H₁₅NO₂S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-methyl-2-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name	1-methyl-2-(4-methylphenyl)sulfonylindole
PubChem CID	155569116
Molecular Formula	C₁₆H₁₅NO₂S
Molecular Weight	285.37 g/mol
Exact Mass	285.08
IUPAC Name	1-methyl-2-(4-methylphenyl)sulfonylindole
SMILES	Cc1ccc(S(=O)(=O)c2cc3ccccc3n2C)cc1
InChI	InChI=1S/C16H15NO2S/c1-12-7-9-14(10-8-12)20(18,19)16-11-13-5-3-4-6-15(13)17(16)2/h3-11H,1-2H3
InChIKey	QWVYIJSFJNYATI-UHFFFAOYSA-N
XLogP	3.32
TPSA	39.07 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.37
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylphenyl)sulfonylindole?

The IUPAC name of 1-methyl-2-(4-methylphenyl)sulfonylindole (CID 155569116) is 1-methyl-2-(4-methylphenyl)sulfonylindole.

What is the SMILES notation for 1-methyl-2-(4-methylphenyl)sulfonylindole?

The canonical SMILES for 1-methyl-2-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)c2cc3ccccc3n2C)cc1.

What is the InChIKey of 1-methyl-2-(4-methylphenyl)sulfonylindole?

The InChIKey is QWVYIJSFJNYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-12-7-9-14(10-8-12)20(18,19)16-11-13-5-3-4-6-15(13)17(16)2/h3-11H,1-2H3.

What are the key properties of 1-methyl-2-(4-methylphenyl)sulfonylindole?

1-methyl-2-(4-methylphenyl)sulfonylindole has a molecular weight of 285.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 155569116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155569116 — identifiers, structure, computed properties (public domain)

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