7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride

C15H8BrClF2O3S — CID 59344922

IUPAC7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1oc2c(Br)cc(F)cc2c1Cc1cccc(F)c1
InChIInChI=1S/C15H8BrClF2O3S/c16-13-7-10(19)6-11-12(5-8-2-1-3-9(18)4-8)15(22-14(11)13)23(17,20)21/h1-4,6-7H,5H2
InChIKeyIHPBWBLLVNXBHW-UHFFFAOYSA-N
MW421.65 g/mol
LogP4.99
Rot. Bonds3

About 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride

7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride (PubChem CID 59344922) has the molecular formula C15H8BrClF2O3S and a molecular weight of 421.65 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride
PubChem CID59344922
Molecular FormulaC15H8BrClF2O3S
Molecular Weight421.65 g/mol
Exact Mass419.90
IUPAC Name7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1oc2c(Br)cc(F)cc2c1Cc1cccc(F)c1
InChIInChI=1S/C15H8BrClF2O3S/c16-13-7-10(19)6-11-12(5-8-2-1-3-9(18)4-8)15(22-14(11)13)23(17,20)21/h1-4,6-7H,5H2
InChIKeyIHPBWBLLVNXBHW-UHFFFAOYSA-N
XLogP4.99
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.65
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride (CID 59344922) is 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride is O=S(=O)(Cl)c1oc2c(Br)cc(F)cc2c1Cc1cccc(F)c1.
What is the InChIKey of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride?
The InChIKey is IHPBWBLLVNXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF2O3S/c16-13-7-10(19)6-11-12(5-8-2-1-3-9(18)4-8)15(22-14(11)13)23(17,20)21/h1-4,6-7H,5H2.
What are the key properties of 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride?
7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride has a molecular weight of 421.65 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-[(3-fluorophenyl)methyl]-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 59344922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).