2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid

C12H15NO6S — CID 43665896

IUPAC2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
SMILESCOC(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H15NO6S/c1-19-12(16)6-7-13-20(17,18)10-4-2-9(3-5-10)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyZIRUUUIFOXQWNK-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.16
Rot. Bonds7

About 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid

2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43665896) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
PubChem CID43665896
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
SMILESCOC(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H15NO6S/c1-19-12(16)6-7-13-20(17,18)10-4-2-9(3-5-10)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChIKeyZIRUUUIFOXQWNK-UHFFFAOYSA-N
XLogP0.16
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
methyl 3-[[4-(1-aminoethyl)phenyl]sulfonylamino]propanoate
CID 61295392
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
2-[4-[(5-hydroxy-4-methylpentyl)sulfamoyl]phenyl]acetic acid
CID 106155951
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid (CID 43665896) is 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid is COC(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is ZIRUUUIFOXQWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-19-12(16)6-7-13-20(17,18)10-4-2-9(3-5-10)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 301.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43665896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).