4-[(Pyridin-4-ylmethyl)-sulfamoyl]-benzoic acid

Base Information

• Chemical Name: 4-[(Pyridin-4-ylmethyl)-sulfamoyl]-benzoic acid
• CAS No.: 436091-71-3
• Molecular Formula: C13H12N2O4S
• Molecular Weight: 292.31
• DSSTox Substance ID: DTXSID80360699
• Wikidata: Q82142569
• Mol file: 436091-71-3.mol

Synonyms:436091-71-3;4-[(PYRIDIN-4-YLMETHYL)-SULFAMOYL]-BENZOIC ACID;4-(pyridin-4-ylmethylsulfamoyl)benzoic Acid;DTXSID80360699;AKOS008959016;4-[(pyridin-4-ylmethyl)sulfamoyl]benzoic acid;4-(N-(Pyridin-4-ylmethyl)sulfamoyl)benzoic acid;4-{[(Pyridin-4-yl)methyl]sulfamoyl}benzoic acid

Chemical Property of 4-[(Pyridin-4-ylmethyl)-sulfamoyl]-benzoic acid

Chemical Property:

• Boiling Point: 543.6±60.0 °C(Predicted)
• PKA: 3.48±0.10(Predicted)
• PSA: 104.74000
• Density: 1.415±0.06 g/cm3(Predicted)
• LogP: 2.73000
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 418

Purity/Quality:

99%min ^*data from raw suppliers

4-[(PYRIDIN-4-YLMETHYL)SULFAMOYL]BENZOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)NCC2=CC=NC=C2