Home Sulfos 5-(piperazine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

5-(piperazine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS No.:
900641-20-5
Catalog Number:
AG019N69
Molecular Formula:
C11H14N4O3S
Molecular Weight:
282.3189
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Product Description
Catalog Number:
AG019N69
Chemical Name:
5-(piperazine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS Number:
900641-20-5
Molecular Formula:
C11H14N4O3S
Molecular Weight:
282.3189
MDL Number:
MFCD08271816
IUPAC Name:
5-piperazin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C11H14N4O3S/c16-11-13-9-2-1-8(7-10(9)14-11)19(17,18)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H2,13,14,16)
InChI Key:
WXSIBTCKVIZDLA-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)N1CCNCC1
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
282.318g/mol
Monoisotopic Mass:
282.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties