2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid

C12H15NO6S — CID 80717459

IUPAC2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H15NO6S/c14-12(15)8-19-10-1-3-11(4-2-10)20(16,17)13-9-5-6-18-7-9/h1-4,9,13H,5-8H2,(H,14,15)
InChIKeyJNVOYWZJXQUMJY-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.22
Rot. Bonds6

About 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid

2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid (PubChem CID 80717459) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
PubChem CID80717459
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H15NO6S/c14-12(15)8-19-10-1-3-11(4-2-10)20(16,17)13-9-5-6-18-7-9/h1-4,9,13H,5-8H2,(H,14,15)
InChIKeyJNVOYWZJXQUMJY-UHFFFAOYSA-N
XLogP0.22
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390
2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 103962619
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid
CID 154743450
4-(3-aminopropoxy)-N-(oxan-3-yl)benzenesulfonamide
CID 106065190
2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
CID 167982876
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
N-(oxan-3-yl)benzenesulfonamide
CID 63613851

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid (CID 80717459) is 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NC2CCOC2)cc1.
What is the InChIKey of 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid?
The InChIKey is JNVOYWZJXQUMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c14-12(15)8-19-10-1-3-11(4-2-10)20(16,17)13-9-5-6-18-7-9/h1-4,9,13H,5-8H2,(H,14,15).
What are the key properties of 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid?
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid has a molecular weight of 301.32 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 80717459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).