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Home Sulfos 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS No.:
565181-85-3
Catalog Number:
AG00IA32
Molecular Formula:
C14H18N2O5S
Molecular Weight:
326.3681
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Product Description
Catalog Number:
AG00IA32
Chemical Name:
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
CAS Number:
565181-85-3
Molecular Formula:
C14H18N2O5S
Molecular Weight:
326.3681
MDL Number:
MFCD03989648
IUPAC Name:
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
InChI:
InChI=1S/C14H18N2O5S/c17-13(6-7-14(18)19)15-8-10-16(11-9-15)22(20,21)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)
InChI Key:
XHOUBJHVTQEPLD-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.094g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.367g/mol
Monoisotopic Mass:
326.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties