sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 4-(Azepan-1-ylsulfonyl)aniline

4-(Azepan-1-ylsulfonyl)aniline

CAS No.:
109286-01-3
Catalog Number:
AG007B1G
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG007B1G
Chemical Name:
4-(Azepan-1-ylsulfonyl)aniline
CAS Number:
109286-01-3
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD01613158
IUPAC Name:
4-(azepan-1-ylsulfonyl)aniline
InChI:
InChI=1S/C12H18N2O2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2
InChI Key:
FHCOBXPSQPZHOU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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