5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran

C15H10BrFO3S — CID 90862287

IUPAC5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran
SMILESCc1oc2ccc(Br)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10BrFO3S/c1-9-15(13-8-10(16)2-7-14(13)20-9)21(18,19)12-5-3-11(17)4-6-12/h2-8H,1H3
InChIKeyDJQGRAOPLDWUIR-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran

5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran (PubChem CID 90862287) has the molecular formula C15H10BrFO3S and a molecular weight of 369.21 g/mol. Its IUPAC name is 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran
PubChem CID90862287
Molecular FormulaC15H10BrFO3S
Molecular Weight369.21 g/mol
Exact Mass367.95
IUPAC Name5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran
SMILESCc1oc2ccc(Br)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10BrFO3S/c1-9-15(13-8-10(16)2-7-14(13)20-9)21(18,19)12-5-3-11(17)4-6-12/h2-8H,1H3
InChIKeyDJQGRAOPLDWUIR-UHFFFAOYSA-N
XLogP4.48
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
The IUPAC name of 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran (CID 90862287) is 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran.
What is the SMILES notation for 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
The canonical SMILES for 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran is Cc1oc2ccc(Br)cc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
The InChIKey is DJQGRAOPLDWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO3S/c1-9-15(13-8-10(16)2-7-14(13)20-9)21(18,19)12-5-3-11(17)4-6-12/h2-8H,1H3.
What are the key properties of 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran?
5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran has a molecular weight of 369.21 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluorophenyl)sulfonyl-2-methyl-1-benzofuran is sourced from PubChem (CID 90862287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).