Home Sulfos N-[3-[2-(2-Amino-5-pyrimidinyl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxy-3-pyridinesulfonamide

N-[3-[2-(2-Amino-5-pyrimidinyl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxy-3-pyridinesulfonamide

CAS No.:
2183470-12-2
Catalog Number:
AG01E4IZ
Molecular Formula:
C18H12ClF2N5O3S
Molecular Weight:
451.8344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$404
- +
10mg
99%
1 week
United States
$682
- +
25mg
99%
1 week
United States
$1307
- +
50mg
99%
1 week
United States
$2001
- +
100mg
99%
1 week
United States
$2973
- +
Product Description
Catalog Number:
AG01E4IZ
Chemical Name:
N-[3-[2-(2-Amino-5-pyrimidinyl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxy-3-pyridinesulfonamide
CAS Number:
2183470-12-2
Molecular Formula:
C18H12ClF2N5O3S
Molecular Weight:
451.8344
MDL Number:
MFCD31692416
IUPAC Name:
N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
InChI:
InChI=1S/C18H12ClF2N5O3S/c1-29-17-15(6-11(19)9-23-17)30(27,28)26-14-5-4-13(20)12(16(14)21)3-2-10-7-24-18(22)25-8-10/h4-9,26H,1H3,(H2,22,24,25)
InChI Key:
JGHVXJKGYJYWOP-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1S(=O)(=O)Nc1ccc(c(c1F)C#Cc1cnc(nc1)N)F)Cl
Properties
Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.032g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
451.833g/mol
Monoisotopic Mass:
451.032g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties