743445-14-9
2-((4-[(3-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL)CARBONYL)BENZOIC ACID
Name2-((4-[(3-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL)CARBONYL)BENZOIC ACID
FormulaC18 H17 Cl N2 O5 S
1Identification
【Name】
2-((4-[(3-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL)CARBONYL)BENZOIC ACID
【CAS】
【MDL】
MFCD05263278
【English Synonyms】
【Formula】
C18 H17 Cl N2 O5 S
【MolWeight】
408.86
【Inchi】
InChI=1S/C18H17ClN2O5S/c19-13-4-3-5-14(12-13)27(25,26)21-10-8-20(9-11-21)17(22)15-6-1-2-7-16(15)18(23)24/h1-7,12H,8-11H2,(H,23,24)
【InChIKey】
InChIKey=LIYFWCVWQUKOOG-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc(c3)Cl)C(=O)O
【MOL File】
2-((4-[(3-CHLOROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-[(3-CHLOROPHENYL)SULFONYL]PIPERAZIN-1-YL)CARBONYL)BENZOIC ACID.cml