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Home Sulfos 2-Pyridinecarboxamide, N-[3-chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-

2-Pyridinecarboxamide, N-[3-chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-

CAS No.:
1246086-78-1
Catalog Number:
AG000MGG
Molecular Formula:
C18H13Cl2N3O3S
Molecular Weight:
422.2851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$179
- +
10mg
98%
1 week
United States
$240
- +
50mg
≥98%
1 week
United States
$665
- +
Product Description
Catalog Number:
AG000MGG
Chemical Name:
2-Pyridinecarboxamide, N-[3-chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-
CAS Number:
1246086-78-1
Molecular Formula:
C18H13Cl2N3O3S
Molecular Weight:
422.2851
MDL Number:
MFCD22378484
IUPAC Name:
N-[3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
InChI:
InChI=1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-9-8-12(11-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)
InChI Key:
IXHCGJXBIHHIEF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)Nc1ccc(c(c1)Cl)S(=O)(=O)Nc1ccccc1Cl
Properties
Complexity:
614  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.005g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
422.28g/mol
Monoisotopic Mass:
421.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. Journal of medicinal chemistry 20110728
Synthesis and SAR of novel, 4-(phenylsulfamoyl)phenylacetamide mGlu4 positive allosteric modulators (PAMs) identified by functional high-throughput screening (HTS). Bioorganic & medicinal chemistry letters 20100901
Properties