1-benzylsulfonyl-2-benzofuran

C15H12O3S — CID 174761335

IUPAC1-benzylsulfonyl-2-benzofuran
SMILESO=S(=O)(Cc1ccccc1)c1occ2ccccc12
InChIInChI=1S/C15H12O3S/c16-19(17,11-12-6-2-1-3-7-12)15-14-9-5-4-8-13(14)10-18-15/h1-10H,11H2
InChIKeyLIXDNQRVYPAWRB-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.41
Rot. Bonds3

About 1-benzylsulfonyl-2-benzofuran

1-benzylsulfonyl-2-benzofuran (PubChem CID 174761335) has the molecular formula C15H12O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-benzofuran.

Molecular Properties

Compound Name1-benzylsulfonyl-2-benzofuran
PubChem CID174761335
Molecular FormulaC15H12O3S
Molecular Weight272.33 g/mol
Exact Mass272.05
IUPAC Name1-benzylsulfonyl-2-benzofuran
SMILESO=S(=O)(Cc1ccccc1)c1occ2ccccc12
InChIInChI=1S/C15H12O3S/c16-19(17,11-12-6-2-1-3-7-12)15-14-9-5-4-8-13(14)10-18-15/h1-10H,11H2
InChIKeyLIXDNQRVYPAWRB-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-benzofuran?
The IUPAC name of 1-benzylsulfonyl-2-benzofuran (CID 174761335) is 1-benzylsulfonyl-2-benzofuran.
What is the SMILES notation for 1-benzylsulfonyl-2-benzofuran?
The canonical SMILES for 1-benzylsulfonyl-2-benzofuran is O=S(=O)(Cc1ccccc1)c1occ2ccccc12.
What is the InChIKey of 1-benzylsulfonyl-2-benzofuran?
The InChIKey is LIXDNQRVYPAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c16-19(17,11-12-6-2-1-3-7-12)15-14-9-5-4-8-13(14)10-18-15/h1-10H,11H2.
What are the key properties of 1-benzylsulfonyl-2-benzofuran?
1-benzylsulfonyl-2-benzofuran has a molecular weight of 272.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2-benzofuran is sourced from PubChem (CID 174761335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).