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1246086-78-1 | 2-Pyridinecarboxamide, N-[3-chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-
CAS No: 1246086-78-1 Catalog No: AG000MGG MDL No:MFCD22378484
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 |
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