3-methoxy-2,4,5-trimethylbenzenesulfonamide

Name: 3-methoxy-2,4,5-trimethylbenzenesulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₅NO₃S — CID 175068082

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

IUPAC3-methoxy-2,4,5-trimethylbenzenesulfonamide

SMILESCOc1c(C)c(C)cc(S(N)(=O)=O)c1C

InChIInChI=1S/C10H15NO3S/c1-6-5-9(15(11,12)13)8(3)10(14-4)7(6)2/h5H,1-4H3,(H2,11,12,13)

InChIKeyLYIKWUUWPGLKRT-UHFFFAOYSA-N

MW229.30 g/mol

LogP1.27

Rot. Bonds2

About 3-methoxy-2,4,5-trimethylbenzenesulfonamide

3-methoxy-2,4,5-trimethylbenzenesulfonamide (PubChem CID 175068082) has the molecular formula C₁₀H₁₅NO₃S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methoxy-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name	3-methoxy-2,4,5-trimethylbenzenesulfonamide
PubChem CID	175068082
Molecular Formula	C₁₀H₁₅NO₃S
Molecular Weight	229.30 g/mol
Exact Mass	229.08
IUPAC Name	3-methoxy-2,4,5-trimethylbenzenesulfonamide
SMILES	COc1c(C)c(C)cc(S(N)(=O)=O)c1C
InChI	InChI=1S/C10H15NO3S/c1-6-5-9(15(11,12)13)8(3)10(14-4)7(6)2/h5H,1-4H3,(H2,11,12,13)
InChIKey	LYIKWUUWPGLKRT-UHFFFAOYSA-N
XLogP	1.27
TPSA	69.39 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.30
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,5-trimethylbenzenesulfonamide?

The IUPAC name of 3-methoxy-2,4,5-trimethylbenzenesulfonamide (CID 175068082) is 3-methoxy-2,4,5-trimethylbenzenesulfonamide.

What is the SMILES notation for 3-methoxy-2,4,5-trimethylbenzenesulfonamide?

The canonical SMILES for 3-methoxy-2,4,5-trimethylbenzenesulfonamide is COc1c(C)c(C)cc(S(N)(=O)=O)c1C.

What is the InChIKey of 3-methoxy-2,4,5-trimethylbenzenesulfonamide?

The InChIKey is LYIKWUUWPGLKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-6-5-9(15(11,12)13)8(3)10(14-4)7(6)2/h5H,1-4H3,(H2,11,12,13).

What are the key properties of 3-methoxy-2,4,5-trimethylbenzenesulfonamide?

3-methoxy-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 175068082), 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 175068082 — 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.