Home Sulfos 1-[(4-Bromobenzene)sulfonyl]homopiperidine

1-[(4-Bromobenzene)sulfonyl]homopiperidine

CAS No.:
153439-48-6
Catalog Number:
AG00ACCU
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$57
- +
5g
1 week
United States
$95
- +
Product Description
Catalog Number:
AG00ACCU
Chemical Name:
1-[(4-Bromobenzene)sulfonyl]homopiperidine
CAS Number:
153439-48-6
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
MDL Number:
MFCD00586539
IUPAC Name:
1-(4-bromophenyl)sulfonylazepane
InChI:
InChI=1S/C12H16BrNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10H2
InChI Key:
CRHZHJNOPUDTDM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.229g/mol
Monoisotopic Mass:
317.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties