Home Boronic acids 2-[4-(4-Chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester

2-[4-(4-Chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester

CAS No.:
1073354-20-7
Catalog Number:
AG007ENI
Molecular Formula:
C21H27BClN3O4S
Molecular Weight:
463.7858
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Product Description
Catalog Number:
AG007ENI
Chemical Name:
2-[4-(4-Chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester
CAS Number:
1073354-20-7
Molecular Formula:
C21H27BClN3O4S
Molecular Weight:
463.7858
MDL Number:
MFCD06797988
IUPAC Name:
1-(4-chlorophenyl)sulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C21H27BClN3O4S/c1-20(2)21(3,4)30-22(29-20)16-5-10-19(24-15-16)25-11-13-26(14-12-25)31(27,28)18-8-6-17(23)7-9-18/h5-10,15H,11-14H2,1-4H3
InChI Key:
ZTLVDQRYPZNBJK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
715  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.15g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.784g/mol
Monoisotopic Mass:
463.15g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties