Home Sulfos 3-Nitro-4-((tetrahydro-2h-pyran-4-yl)methylamino)benzenesulfonamide

3-Nitro-4-((tetrahydro-2h-pyran-4-yl)methylamino)benzenesulfonamide

CAS No.:
1228779-96-1
Catalog Number:
AG000JNE
Molecular Formula:
C12H17N3O5S
Molecular Weight:
315.3455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
1 week
United States
$88
- +
10g
97%
1 week
United States
$127
- +
Product Description
Catalog Number:
AG000JNE
Chemical Name:
3-Nitro-4-((tetrahydro-2h-pyran-4-yl)methylamino)benzenesulfonamide
CAS Number:
1228779-96-1
Molecular Formula:
C12H17N3O5S
Molecular Weight:
315.3455
MDL Number:
MFCD28142285
IUPAC Name:
3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
InChI:
InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)
InChI Key:
HNQRHNYBVWICKB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)N
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.089g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.344g/mol
Monoisotopic Mass:
315.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties