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179334-20-4 | Piperazine, 1-[(4-bromophenyl)sulfonyl]-
CAS No: 179334-20-4 Catalog No: AG0026YA MDL No:MFCD00474647
Product Description
Catalog Number:
AG0026YA
Chemical Name:
Piperazine, 1-[(4-bromophenyl)sulfonyl]-
CAS Number:
179334-20-4
Molecular Formula:
C10H13BrN2O2S
Molecular Weight:
305.1914
MDL Number:
MFCD00474647
IUPAC Name:
1-(4-bromophenyl)sulfonylpiperazine
InChI:
InChI=1S/C10H13BrN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChI Key:
JIABXBYOURNKRZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)N1CCNCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.988g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.19g/mol
Monoisotopic Mass:
303.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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