77266-65-0
5-[(DIMETHYLAMINO)SULFONYL]-2-PIPERIDIN-1-YLBENZOIC ACID
Name5-[(DIMETHYLAMINO)SULFONYL]-2-PIPERIDIN-1-YLBENZOIC ACID
1Identification
【Name】
5-[(DIMETHYLAMINO)SULFONYL]-2-PIPERIDIN-1-YLBENZOIC ACID
【CAS】
【MDL】
MFCD06655300
【English Synonyms】
【Formula】
C14 H20 N2 O4 S
【MolWeight】
312.388
【Inchi】
InChI=1S/C14H20N2O4S/c1-15(2)21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=ATFRGLNGURZGBY-UHFFFAOYSA-N
【SMILES】
CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)N2CCCCC2
【MOL File】
5-[(DIMETHYLAMINO)SU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(DIMETHYLAMINO)SULFONYL]-2-PIPERIDIN-1-YLBENZOIC ACID.cml