Home Sulfos Methanone, (2-amino-4-bromophenyl)[4-(methylsulfonyl)-1-piperazinyl]-

Methanone, (2-amino-4-bromophenyl)[4-(methylsulfonyl)-1-piperazinyl]-

CAS No.:
1539817-33-8
Catalog Number:
AG00IMPY
Molecular Formula:
C12H16BrN3O3S
Molecular Weight:
362.2427
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Product Description
Catalog Number:
AG00IMPY
Chemical Name:
Methanone, (2-amino-4-bromophenyl)[4-(methylsulfonyl)-1-piperazinyl]-
CAS Number:
1539817-33-8
Molecular Formula:
C12H16BrN3O3S
Molecular Weight:
362.2427
MDL Number:
MFCD31382010
IUPAC Name:
(2-amino-4-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
InChI:
InChI=1S/C12H16BrN3O3S/c1-20(18,19)16-6-4-15(5-7-16)12(17)10-3-2-9(13)8-11(10)14/h2-3,8H,4-7,14H2,1H3
InChI Key:
MLGGEWPEPQQPAJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)N)C(=O)N1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.01g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
362.242g/mol
Monoisotopic Mass:
361.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties