3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran

C17H15FO3S — CID 139086545

IUPAC3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran
SMILESCc1cc(C)c2oc(C)c(S(=O)(=O)c3ccccc3F)c2c1
InChIInChI=1S/C17H15FO3S/c1-10-8-11(2)16-13(9-10)17(12(3)21-16)22(19,20)15-7-5-4-6-14(15)18/h4-9H,1-3H3
InChIKeyQRCDECGRHQMZOX-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.33
Rot. Bonds2

About 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran

3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran (PubChem CID 139086545) has the molecular formula C17H15FO3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran
PubChem CID139086545
Molecular FormulaC17H15FO3S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran
SMILESCc1cc(C)c2oc(C)c(S(=O)(=O)c3ccccc3F)c2c1
InChIInChI=1S/C17H15FO3S/c1-10-8-11(2)16-13(9-10)17(12(3)21-16)22(19,20)15-7-5-4-6-14(15)18/h4-9H,1-3H3
InChIKeyQRCDECGRHQMZOX-UHFFFAOYSA-N
XLogP4.33
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran (CID 139086545) is 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran is Cc1cc(C)c2oc(C)c(S(=O)(=O)c3ccccc3F)c2c1.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran?
The InChIKey is QRCDECGRHQMZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3S/c1-10-8-11(2)16-13(9-10)17(12(3)21-16)22(19,20)15-7-5-4-6-14(15)18/h4-9H,1-3H3.
What are the key properties of 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran?
3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran has a molecular weight of 318.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-2,5,7-trimethyl-1-benzofuran is sourced from PubChem (CID 139086545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).