5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran

Name: 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₄O₃S — CID 23543562

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

IUPAC5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran

SMILESCc1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1

InChIInChI=1S/C15H14O3S/c1-11-2-4-13(5-3-11)19(16,17)14-6-7-15-12(10-14)8-9-18-15/h2-7,10H,8-9H2,1H3

InChIKeyOYBPZKNMYQBKQK-UHFFFAOYSA-N

MW274.34 g/mol

LogP2.76

Rot. Bonds2

About 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran

5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran (PubChem CID 23543562) has the molecular formula C₁₅H₁₄O₃S and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name	5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
PubChem CID	23543562
Molecular Formula	C₁₅H₁₄O₃S
Molecular Weight	274.34 g/mol
Exact Mass	274.07
IUPAC Name	5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
SMILES	Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1
InChI	InChI=1S/C15H14O3S/c1-11-2-4-13(5-3-11)19(16,17)14-6-7-15-12(10-14)8-9-18-15/h2-7,10H,8-9H2,1H3
InChIKey	OYBPZKNMYQBKQK-UHFFFAOYSA-N
XLogP	2.76
TPSA	43.37 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.34
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran?

The IUPAC name of 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran (CID 23543562) is 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran.

What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran?

The canonical SMILES for 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran is Cc1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)cc1.

What is the InChIKey of 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran?

The InChIKey is OYBPZKNMYQBKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-11-2-4-13(5-3-11)19(16,17)14-6-7-15-12(10-14)8-9-18-15/h2-7,10H,8-9H2,1H3.

What are the key properties of 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran?

5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran has a molecular weight of 274.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 23543562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 23543562 — identifiers, structure, computed properties (public domain)

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