3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid

C12H17NO5S — CID 43361900

IUPAC3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
SMILESCOc1ccccc1C(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-9(10-5-3-4-6-11(10)18-2)13-19(16,17)8-7-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyALHUTBFBFJGOEB-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.15
Rot. Bonds7

About 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid

3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid (PubChem CID 43361900) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
PubChem CID43361900
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
SMILESCOc1ccccc1C(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-9(10-5-3-4-6-11(10)18-2)13-19(16,17)8-7-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyALHUTBFBFJGOEB-UHFFFAOYSA-N
XLogP1.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
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3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
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N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
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2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
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N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
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N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
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N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
CID 43535671
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
3-[1-(2,4-dichlorophenyl)ethylsulfamoyl]propanoic acid
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3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid (CID 43361900) is 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid is COc1ccccc1C(C)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is ALHUTBFBFJGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9(10-5-3-4-6-11(10)18-2)13-19(16,17)8-7-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid?
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 43361900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).