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

C15H14O3S — CID 23543562

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 Name5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
PubChem CID23543562
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name5-(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
XLogP2.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58862147
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
[2-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl] 4-methylbenzenesulfonate
CID 102436964
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219
2,3-dihydro-1-benzofuran;methyl 4-methylbenzenesulfonate
CID 87756103
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441

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).