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309271-25-8 | Ethanone, 1-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-
CAS No: 309271-25-8 Catalog No: AG0031OB MDL No:MFCD01200548
Product Description
Catalog Number:
AG0031OB
Chemical Name:
Ethanone, 1-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-
CAS Number:
309271-25-8
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD01200548
IUPAC Name:
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
InChI:
InChI=1S/C13H18N2O3S/c1-11(16)12-3-5-13(6-4-12)19(17,18)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChI Key:
CPSMBILYGPIPPN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 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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