[3-(4-methylphenyl)sulfonylphenyl]methanamine

Name: [3-(4-methylphenyl)sulfonylphenyl]methanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₅NO₂S — CID 117036589

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

IUPAC[3-(4-methylphenyl)sulfonylphenyl]methanamine

SMILESCc1ccc(S(=O)(=O)c2cccc(CN)c2)cc1

InChIInChI=1S/C14H15NO2S/c1-11-5-7-13(8-6-11)18(16,17)14-4-2-3-12(9-14)10-15/h2-9H,10,15H2,1H3

InChIKeyMOHLNEGBOMHRLK-UHFFFAOYSA-N

MW261.35 g/mol

LogP2.29

Rot. Bonds3

About [3-(4-methylphenyl)sulfonylphenyl]methanamine

[3-(4-methylphenyl)sulfonylphenyl]methanamine (PubChem CID 117036589) has the molecular formula C₁₄H₁₅NO₂S and a molecular weight of 261.35 g/mol. Its IUPAC name is [3-(4-methylphenyl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name	[3-(4-methylphenyl)sulfonylphenyl]methanamine
PubChem CID	117036589
Molecular Formula	C₁₄H₁₅NO₂S
Molecular Weight	261.35 g/mol
Exact Mass	261.08
IUPAC Name	[3-(4-methylphenyl)sulfonylphenyl]methanamine
SMILES	Cc1ccc(S(=O)(=O)c2cccc(CN)c2)cc1
InChI	InChI=1S/C14H15NO2S/c1-11-5-7-13(8-6-11)18(16,17)14-4-2-3-12(9-14)10-15/h2-9H,10,15H2,1H3
InChIKey	MOHLNEGBOMHRLK-UHFFFAOYSA-N
XLogP	2.29
TPSA	60.16 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.35
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)sulfonylphenyl]methanamine?

The IUPAC name of [3-(4-methylphenyl)sulfonylphenyl]methanamine (CID 117036589) is [3-(4-methylphenyl)sulfonylphenyl]methanamine.

What is the SMILES notation for [3-(4-methylphenyl)sulfonylphenyl]methanamine?

The canonical SMILES for [3-(4-methylphenyl)sulfonylphenyl]methanamine is Cc1ccc(S(=O)(=O)c2cccc(CN)c2)cc1.

What is the InChIKey of [3-(4-methylphenyl)sulfonylphenyl]methanamine?

The InChIKey is MOHLNEGBOMHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-5-7-13(8-6-11)18(16,17)14-4-2-3-12(9-14)10-15/h2-9H,10,15H2,1H3.

What are the key properties of [3-(4-methylphenyl)sulfonylphenyl]methanamine?

[3-(4-methylphenyl)sulfonylphenyl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-methylphenyl)sulfonylphenyl]methanamine is sourced from PubChem (CID 117036589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 117036589 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.