2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid

C13H12N2O5S — CID 43132249

IUPAC2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C13H12N2O5S/c16-13(17)9-20-10-4-6-11(7-5-10)21(18,19)15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyPGMXIVVRLLMZBT-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.35
Rot. Bonds6

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

2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid (PubChem CID 43132249) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
PubChem CID43132249
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C13H12N2O5S/c16-13(17)9-20-10-4-6-11(7-5-10)21(18,19)15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyPGMXIVVRLLMZBT-UHFFFAOYSA-N
XLogP1.35
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 99954661
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
2-(4-bromo-3-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19176553
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19176564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid (CID 43132249) is 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid?
The InChIKey is PGMXIVVRLLMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c16-13(17)9-20-10-4-6-11(7-5-10)21(18,19)15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid?
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid has a molecular weight of 308.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 43132249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).