6-Amino-2-methoxy-5-((2-methylphenyl)sulfonyl)nicotinonitrile

Base Information

• Chemical Name: 6-Amino-2-methoxy-5-((2-methylphenyl)sulfonyl)nicotinonitrile
• CAS No.: 338774-46-2
• Molecular Formula: C14H13N3O3S
• Molecular Weight: 303.34
• DSSTox Substance ID: DTXSID101157081
• ChEMBL ID: CHEMBL1444312
• Mol file: 338774-46-2.mol

Synonyms:338774-46-2;6-Amino-2-methoxy-5-((2-methylphenyl)sulfonyl)nicotinonitrile;6-amino-2-methoxy-5-(2-methylbenzenesulfonyl)pyridine-3-carbonitrile;6-amino-2-methoxy-5-[(2-methylphenyl)sulfonyl]nicotinonitrile;6-amino-2-methoxy-5-(2-methylphenyl)sulfonylpyridine-3-carbonitrile;MLS000325651;Oprea1_236629;CHEMBL1444312;DTXSID101157081;HMS2453M21;AKOS005085439;2K-524S;SMR000169913;6-amino-2-methoxy-5-(o-tolylsulfonyl)nicotinonitrile;6-Amino-2-methoxy-5-[(2-methylphenyl)sulfonyl]-3-pyridinecarbonitrile

Chemical Property of 6-Amino-2-methoxy-5-((2-methylphenyl)sulfonyl)nicotinonitrile

Chemical Property:

• PKA: -2.83±0.50(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 303.06776246
• Heavy Atom Count: 21
• Complexity: 507

Purity/Quality:

6-AMINO-2-METHOXY-5-((2-METHYLPHENYL)SULFONYL)NICOTINONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1S(=O)(=O)C2=C(N=C(C(=C2)C#N)OC)N