3-(4-Carbamoylphenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 3-(4-Carbamoylphenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester
• CAS No.: 887587-88-4
• Molecular Formula: C16H22 N2 O5 S
• Molecular Weight: 354.42
• DSSTox Substance ID: DTXSID60698806
• Mol file: 887587-88-4.mol

Synonyms:887587-88-4;3-(4-carbamoylphenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester;tert-Butyl 3-((4-carbamoylphenyl)sulfonyl)pyrrolidine-1-carboxylate;3-(4-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;DTXSID60698806;tert-butyl 3-(4-carbamoylphenyl)sulfonylpyrrolidine-1-carboxylate;tert-Butyl 3-(4-carbamoylbenzene-1-sulfonyl)pyrrolidine-1-carboxylate

Chemical Property of 3-(4-Carbamoylphenylsulfonyl)pyrrolidine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 115.15000
• LogP: 3.28760
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 354.12494298
• Heavy Atom Count: 24
• Complexity: 583

Purity/Quality:

98% ^*data from raw suppliers

3-(4-carbamoyl-benzenesulfonyl)-pyrrolidine-1-carboxylicacidtert-butylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N

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