2-{[(4-Methylphenyl)sulfonyl]amino}butanoic acid

Base Information

• Chemical Name: 2-{[(4-Methylphenyl)sulfonyl]amino}butanoic acid
• CAS No.: 69676-71-7
• Molecular Formula: C₁₁H₁₅NO₄S
• Molecular Weight: 257.31
• DSSTox Substance ID: DTXSID80390537
• Nikkaji Number: J2.210.426H,J247.563D
• ChEMBL ID: CHEMBL1493598

Synonyms:69676-71-7;2-{[(4-methylphenyl)sulfonyl]amino}butanoic acid;2-[(4-methylphenyl)sulfonylamino]butanoic acid;Butanoic acid, 2-[[(4-methylphenyl)sulfonyl]amino]-;2-(4-methylbenzenesulfonamido)butanoic acid;2-(toluene-4-sulfonylamino)-butyric acid;Oprea1_042624;Oprea1_684456;MLS000095930;SCHEMBL3427026;CHEMBL1493598;(S)-2-(Tosylamino)butyric acid;DTXSID80390537;HMS2442A13;MFCD00720459;STL087631;AKOS001585765;2-(Toluene-4-sulfonylamino)butyric acid;SMR000031478;EN300-302697;SR-01000579684;(2R)-2-(4-Methylphenylsulfonylamino)butanoic acid;A1-04426;SR-01000579684-1

Chemical Property of 2-{[(4-Methylphenyl)sulfonyl]amino}butanoic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 257.07217913
• Heavy Atom Count: 17
• Complexity: 352

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

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