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Home > Nitro Compounds > 71422-42-9
71422-42-9 | 1-(4-nitrobenzenesulfonyl)-4-(pyridin-2-yl)piperazine
CAS No: 71422-42-9 Catalog No: AG00ITHO MDL No:MFCD01567496
Product Description
Catalog Number:
AG00ITHO
Chemical Name:
1-(4-nitrobenzenesulfonyl)-4-(pyridin-2-yl)piperazine
CAS Number:
71422-42-9
Molecular Formula:
C15H16N4O4S
Molecular Weight:
348.3769
MDL Number:
MFCD01567496
IUPAC Name:
1-(4-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
InChI:
InChI=1S/C15H16N4O4S/c20-19(21)13-4-6-14(7-5-13)24(22,23)18-11-9-17(10-12-18)15-3-1-2-8-16-15/h1-8H,9-12H2
InChI Key:
ZHOCVAORAMJCLR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.377g/mol
Monoisotopic Mass:
348.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis and antimalarial activity of benzene and isoquinoline sulfonamide derivatives. | Bioorganic & medicinal chemistry letters 20080115 |
| 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 |
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