3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid

C21H17NO5S — CID 9235437

IUPAC3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C21H17NO5S/c23-21(24)12-7-14-5-9-16(10-6-14)28(25,26)22-15-8-11-20-18(13-15)17-3-1-2-4-19(17)27-20/h1-6,8-11,13,22H,7,12H2,(H,23,24)
InChIKeyUATLBZZYQUFUBQ-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.40
Rot. Bonds6

About 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid

3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid (PubChem CID 9235437) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
PubChem CID9235437
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC Name3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C21H17NO5S/c23-21(24)12-7-14-5-9-16(10-6-14)28(25,26)22-15-8-11-20-18(13-15)17-3-1-2-4-19(17)27-20/h1-6,8-11,13,22H,7,12H2,(H,23,24)
InChIKeyUATLBZZYQUFUBQ-UHFFFAOYSA-N
XLogP4.40
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-ylpropanoic acid
CID 2728916
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CID 9234830
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516472
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
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3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
3-[4-[(4-fluoro-3-nitrophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516484
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
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CID 24580865

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid (CID 9235437) is 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid?
The InChIKey is UATLBZZYQUFUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5S/c23-21(24)12-7-14-5-9-16(10-6-14)28(25,26)22-15-8-11-20-18(13-15)17-3-1-2-4-19(17)27-20/h1-6,8-11,13,22H,7,12H2,(H,23,24).
What are the key properties of 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid?
3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid has a molecular weight of 395.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid is sourced from PubChem (CID 9235437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).