793727-47-6
5-(PIPERIDIN-1-YLSULFONYL)-2-PYRROLIDIN-1-YLBENZOIC ACID
Name5-(PIPERIDIN-1-YLSULFONYL)-2-PYRROLIDIN-1-YLBENZOIC ACID
1Identification
【Name】
5-(PIPERIDIN-1-YLSULFONYL)-2-PYRROLIDIN-1-YLBENZOIC ACID
【CAS】
【MDL】
MFCD06364943
【English Synonyms】
【Formula】
C16 H22 N2 O4 S
【MolWeight】
338.426
【Inchi】
InChI=1S/C16H22N2O4S/c19-16(20)14-12-13(6-7-15(14)17-8-4-5-9-17)23(21,22)18-10-2-1-3-11-18/h6-7,12H,1-5,8-11H2,(H,19,20)
【InChIKey】
InChIKey=CVQIKJWNPWDPEZ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(=O)O)N3CCCC3
【MOL File】
5-(PIPERIDIN-1-YLSUL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(PIPERIDIN-1-YLSULFONYL)-2-PYRROLIDIN-1-YLBENZOIC ACID.cml