2-(benzenesulfonylmethyl)furan

C11H10O3S — CID 11368038

IUPAC2-(benzenesulfonylmethyl)furan
SMILESO=S(=O)(Cc1ccco1)c1ccccc1
InChIInChI=1S/C11H10O3S/c12-15(13,9-10-5-4-8-14-10)11-6-2-1-3-7-11/h1-8H,9H2
InChIKeyIQPDZTGWMDRFOQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.25
Rot. Bonds3

About 2-(benzenesulfonylmethyl)furan

2-(benzenesulfonylmethyl)furan (PubChem CID 11368038) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)furan.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)furan
PubChem CID11368038
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name2-(benzenesulfonylmethyl)furan
SMILESO=S(=O)(Cc1ccco1)c1ccccc1
InChIInChI=1S/C11H10O3S/c12-15(13,9-10-5-4-8-14-10)11-6-2-1-3-7-11/h1-8H,9H2
InChIKeyIQPDZTGWMDRFOQ-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)furan?
The IUPAC name of 2-(benzenesulfonylmethyl)furan (CID 11368038) is 2-(benzenesulfonylmethyl)furan.
What is the SMILES notation for 2-(benzenesulfonylmethyl)furan?
The canonical SMILES for 2-(benzenesulfonylmethyl)furan is O=S(=O)(Cc1ccco1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)furan?
The InChIKey is IQPDZTGWMDRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-15(13,9-10-5-4-8-14-10)11-6-2-1-3-7-11/h1-8H,9H2.
What are the key properties of 2-(benzenesulfonylmethyl)furan?
2-(benzenesulfonylmethyl)furan has a molecular weight of 222.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)furan is sourced from PubChem (CID 11368038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).