554426-45-8
3-(CYCLOHEXYL-METHYL-SULFAMOYL)-BENZOIC ACID
Name3-(CYCLOHEXYL-METHYL-SULFAMOYL)-BENZOIC ACID
1Identification
【Name】
3-(CYCLOHEXYL-METHYL-SULFAMOYL)-BENZOIC ACID
【CAS】
【MDL】
MFCD04605907
【English Synonyms】
【Formula】
C14 H19 N O4 S
【MolWeight】
297.373
【Inchi】
InChI=1S/C14H19NO4S/c1-15(12-7-3-2-4-8-12)20(18,19)13-9-5-6-11(10-13)14(16)17/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,16,17)
【InChIKey】
InChIKey=BQLSFKJFZAEIQJ-UHFFFAOYSA-N
【SMILES】
CN(C1CCCCC1)S(=O)(=O)c2cccc(c2)C(=O)O
【MOL File】
3-(CYCLOHEXYL-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(CYCLOHEXYL-METHYL-SULFAMOYL)-BENZOIC ACID.cml