[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate

C16H14FNO5S2 — CID 55730721

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2cc3c(F)cccc3s2)o1
InChIInChI=1S/C16H14FNO5S2/c1-18(2)25(20,21)15-7-6-10(23-15)9-22-16(19)14-8-11-12(17)4-3-5-13(11)24-14/h3-8H,9H2,1-2H3
InChIKeyXWRXHUMAFNFPLO-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.24
Rot. Bonds5

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate (PubChem CID 55730721) has the molecular formula C16H14FNO5S2 and a molecular weight of 383.42 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate
PubChem CID55730721
Molecular FormulaC16H14FNO5S2
Molecular Weight383.42 g/mol
Exact Mass383.03
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2cc3c(F)cccc3s2)o1
InChIInChI=1S/C16H14FNO5S2/c1-18(2)25(20,21)15-7-6-10(23-15)9-22-16(19)14-8-11-12(17)4-3-5-13(11)24-14/h3-8H,9H2,1-2H3
InChIKeyXWRXHUMAFNFPLO-UHFFFAOYSA-N
XLogP3.24
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate (CID 55730721) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc3c(F)cccc3s2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate?
The InChIKey is XWRXHUMAFNFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5S2/c1-18(2)25(20,21)15-7-6-10(23-15)9-22-16(19)14-8-11-12(17)4-3-5-13(11)24-14/h3-8H,9H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate has a molecular weight of 383.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-fluoro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 55730721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).