3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid

C14H15NO6S — CID 136541728

IUPAC3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1ccoc1
InChIInChI=1S/C14H15NO6S/c1-20-13-4-2-10(3-5-14(16)17)8-12(13)15-22(18,19)11-6-7-21-9-11/h2,4,6-9,15H,3,5H2,1H3,(H,16,17)
InChIKeyDIANQWSYORYNTH-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.11
Rot. Bonds7

About 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid

3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid (PubChem CID 136541728) has the molecular formula C14H15NO6S and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid
PubChem CID136541728
Molecular FormulaC14H15NO6S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Name3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1ccoc1
InChIInChI=1S/C14H15NO6S/c1-20-13-4-2-10(3-5-14(16)17)8-12(13)15-22(18,19)11-6-7-21-9-11/h2,4,6-9,15H,3,5H2,1H3,(H,16,17)
InChIKeyDIANQWSYORYNTH-UHFFFAOYSA-N
XLogP2.11
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,6-dihydro-2H-pyridin-1-ylsulfonylamino)-4-methoxyphenyl]propanoic acid
CID 166302572
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]propanoic acid
CID 9234680
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid (CID 136541728) is 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid is COc1ccc(CCC(=O)O)cc1NS(=O)(=O)c1ccoc1.
What is the InChIKey of 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid?
The InChIKey is DIANQWSYORYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6S/c1-20-13-4-2-10(3-5-14(16)17)8-12(13)15-22(18,19)11-6-7-21-9-11/h2,4,6-9,15H,3,5H2,1H3,(H,16,17).
What are the key properties of 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid?
3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid has a molecular weight of 325.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-3-ylsulfonylamino)-4-methoxyphenyl]propanoic acid is sourced from PubChem (CID 136541728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).