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100318-71-6 | Acetamide, N-[4-(1-piperazinylsulfonyl)phenyl]-
CAS No: 100318-71-6 Catalog No: AG0001ML MDL No:MFCD04113956
Product Description
Catalog Number:
AG0001ML
Chemical Name:
Acetamide, N-[4-(1-piperazinylsulfonyl)phenyl]-
CAS Number:
100318-71-6
Molecular Formula:
C12H17N3O3S
Molecular Weight:
283.3467
MDL Number:
MFCD04113956
IUPAC Name:
N-(4-piperazin-1-ylsulfonylphenyl)acetamide
InChI:
InChI=1S/C12H17N3O3S/c1-10(16)14-11-2-4-12(5-3-11)19(17,18)15-8-6-13-7-9-15/h2-5,13H,6-9H2,1H3,(H,14,16)
InChI Key:
HMBMCJNYWPOZKR-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCNCC1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.346g/mol
Monoisotopic Mass:
283.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of N-phenyl-acetamide sulfonamides designed as novel non-hepatotoxic analgesic candidates. | European journal of medicinal chemistry 20090901 |
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