436091-71-3
4-[(PYRIDIN-4-YLMETHYL)SULFAMOYL]BENZOIC ACID
Name4-[(PYRIDIN-4-YLMETHYL)SULFAMOYL]BENZOIC ACID
1Identification
【Name】
4-[(PYRIDIN-4-YLMETHYL)SULFAMOYL]BENZOIC ACID
【CAS】
【MDL】
MFCD04035135
【English Synonyms】
【Formula】
C13 H12 N2 O4 S
【MolWeight】
292.314
【Inchi】
InChI=1S/C13H12N2O4S/c16-13(17)11-1-3-12(4-2-11)20(18,19)15-9-10-5-7-14-8-6-10/h1-8,15H,9H2,(H,16,17)
【InChIKey】
InChIKey=IHPNDQYDXOBBEO-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)S(=O)(=O)NCc2ccncc2
【MOL File】
4-[(PYRIDIN-4-YLMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(PYRIDIN-4-YLMETHYL)SULFAMOYL]BENZOIC ACID.cml