Home Sulfos 3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate

3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate

CAS No.:
820245-41-8
Catalog Number:
AG01EXJ3
Molecular Formula:
C12H11Cl2N3O7S2
Molecular Weight:
444.2676
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Product Description
Catalog Number:
AG01EXJ3
Chemical Name:
3-Chloro-4-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride hydrogen sulfate
CAS Number:
820245-41-8
Molecular Formula:
C12H11Cl2N3O7S2
Molecular Weight:
444.2676
MDL Number:
MFCD06739456
IUPAC Name:
3-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride;sulfuric acid
InChI:
InChI=1S/C12H9Cl2N3O3S.H2O4S/c13-9-7-8(21(14,19)20)4-5-10(9)16-12(18)17-11-3-1-2-6-15-11;1-5(2,3)4/h1-7H,(H2,15,16,17,18);(H2,1,2,3,4)
InChI Key:
KHLHZVYTCQPEPY-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.O=C(Nc1cccc[nH+]1)Nc1ccc(cc1Cl)S(=O)(=O)Cl
Properties
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.942g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
444.254g/mol
Monoisotopic Mass:
442.942g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties