Home Sulfos 2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-one

2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-one

CAS No.:
722491-28-3
Catalog Number:
AG019P7Y
Molecular Formula:
C14H17ClN2O5S
Molecular Weight:
360.8132
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Product Description
Catalog Number:
AG019P7Y
Chemical Name:
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]ethan-1-one
CAS Number:
722491-28-3
Molecular Formula:
C14H17ClN2O5S
Molecular Weight:
360.8132
MDL Number:
MFCD04116857
IUPAC Name:
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C14H17ClN2O5S/c15-10-14(18)16-3-5-17(6-4-16)23(19,20)11-1-2-12-13(9-11)22-8-7-21-12/h1-2,9H,3-8,10H2
InChI Key:
BADSZXHBCSWVAD-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
530  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.055g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.809g/mol
Monoisotopic Mass:
360.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties