Home Sulfos 6-(piperazine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride

6-(piperazine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride

CAS No.:
1269151-32-7
Catalog Number:
AG01AGZ1
Molecular Formula:
C12H16ClN3O4S
Molecular Weight:
333.7911
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Product Description
Catalog Number:
AG01AGZ1
Chemical Name:
6-(piperazine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride
CAS Number:
1269151-32-7
Molecular Formula:
C12H16ClN3O4S
Molecular Weight:
333.7911
MDL Number:
MFCD18380724
IUPAC Name:
6-piperazin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one;hydrochloride
InChI:
InChI=1S/C12H15N3O4S.ClH/c16-12-8-19-11-2-1-9(7-10(11)14-12)20(17,18)15-5-3-13-4-6-15;/h1-2,7,13H,3-6,8H2,(H,14,16);1H
InChI Key:
DXAYLNDJLHTFQV-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)S(=O)(=O)N1CCNCC1.Cl
Properties
Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.055g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
333.787g/mol
Monoisotopic Mass:
333.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties