furan-2-yl-(4-methylsulfonylphenyl)methanone

C12H10O4S — CID 12701751

IUPACfuran-2-yl-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccco2)cc1
InChIInChI=1S/C12H10O4S/c1-17(14,15)10-6-4-9(5-7-10)12(13)11-3-2-8-16-11/h2-8H,1H3
InChIKeyCWRZECMEZICAFW-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.91
Rot. Bonds3

About furan-2-yl-(4-methylsulfonylphenyl)methanone

furan-2-yl-(4-methylsulfonylphenyl)methanone (PubChem CID 12701751) has the molecular formula C12H10O4S and a molecular weight of 250.28 g/mol. Its IUPAC name is furan-2-yl-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(4-methylsulfonylphenyl)methanone
PubChem CID12701751
Molecular FormulaC12H10O4S
Molecular Weight250.28 g/mol
Exact Mass250.03
IUPAC Namefuran-2-yl-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccco2)cc1
InChIInChI=1S/C12H10O4S/c1-17(14,15)10-6-4-9(5-7-10)12(13)11-3-2-8-16-11/h2-8H,1H3
InChIKeyCWRZECMEZICAFW-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(4-methylsulfonylphenyl)methanone?
The IUPAC name of furan-2-yl-(4-methylsulfonylphenyl)methanone (CID 12701751) is furan-2-yl-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for furan-2-yl-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for furan-2-yl-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-(4-methylsulfonylphenyl)methanone?
The InChIKey is CWRZECMEZICAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S/c1-17(14,15)10-6-4-9(5-7-10)12(13)11-3-2-8-16-11/h2-8H,1H3.
What are the key properties of furan-2-yl-(4-methylsulfonylphenyl)methanone?
furan-2-yl-(4-methylsulfonylphenyl)methanone has a molecular weight of 250.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 12701751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).