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Home Sulfos 4-(piperazine-1-sulfonyl)-2,1,3-benzothiadiazole

4-(piperazine-1-sulfonyl)-2,1,3-benzothiadiazole

CAS No.:
488122-76-5
Catalog Number:
AG019K0D
Molecular Formula:
C10H12N4O2S2
Molecular Weight:
284.3579
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Product Description
Catalog Number:
AG019K0D
Chemical Name:
4-(piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CAS Number:
488122-76-5
Molecular Formula:
C10H12N4O2S2
Molecular Weight:
284.3579
MDL Number:
MFCD06355956
IUPAC Name:
4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C10H12N4O2S2/c15-18(16,14-6-4-11-5-7-14)9-3-1-2-8-10(9)13-17-12-8/h1-3,11H,4-7H2
InChI Key:
DPNIKKVQBHVYMT-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc2c1nsn2)N1CCNCC1
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.04g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.352g/mol
Monoisotopic Mass:
284.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties