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Home Sulfos 1-[4-(piperazine-1-sulfonyl)phenyl]ethan-1-one hydrochloride

1-[4-(piperazine-1-sulfonyl)phenyl]ethan-1-one hydrochloride

CAS No.:
1049756-81-1
Catalog Number:
AG019JQC
Molecular Formula:
C12H17ClN2O3S
Molecular Weight:
304.7930
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Product Description
Catalog Number:
AG019JQC
Chemical Name:
1-[4-(piperazine-1-sulfonyl)phenyl]ethan-1-one hydrochloride
CAS Number:
1049756-81-1
Molecular Formula:
C12H17ClN2O3S
Molecular Weight:
304.7930
MDL Number:
MFCD07288191
IUPAC Name:
1-(4-piperazin-1-ylsulfonylphenyl)ethanone;hydrochloride
InChI:
InChI=1S/C12H16N2O3S.ClH/c1-10(15)11-2-4-12(5-3-11)18(16,17)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H
InChI Key:
IZUJYVDNJPGALP-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)N1CCNCC1.Cl
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.789g/mol
Monoisotopic Mass:
304.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties