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16017-64-4 | 1-Piperazineethanol, 4-[(4-methylphenyl)sulfonyl]-
CAS No: 16017-64-4 Catalog No: AG001RPY MDL No:MFCD00193707
Product Description
Catalog Number:
AG001RPY
Chemical Name:
1-Piperazineethanol, 4-[(4-methylphenyl)sulfonyl]-
CAS Number:
16017-64-4
Molecular Formula:
C13H20N2O3S
Molecular Weight:
284.3745
MDL Number:
MFCD00193707
IUPAC Name:
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
InChI:
InChI=1S/C13H20N2O3S/c1-12-2-4-13(5-3-12)19(17,18)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3
InChI Key:
GJAGYOKCNZTDQN-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.374g/mol
Monoisotopic Mass:
284.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Design, synthesis and antimalarial activity of benzene and isoquinoline sulfonamide derivatives. | Bioorganic & medicinal chemistry letters 20080115 |
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