3-Cyano-N-isopropylbenzenesulfonamide

Base Information

• Chemical Name: 3-Cyano-N-isopropylbenzenesulfonamide
• CAS No.: 1003740-72-4
• Molecular Formula: C10H12N2O2S
• Molecular Weight: 224.27948
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20428964
• Wikidata: Q82241828
• ChEMBL ID: CHEMBL4550216
• Mol file: 1003740-72-4.mol

Synonyms:3-Cyano-N-isopropylbenzenesulfonamide;1003740-72-4;3-cyano-N-propan-2-ylbenzenesulfonamide;3-cyano-N-(propan-2-yl)benzene-1-sulfonamide;CHEMBL4550216;SCHEMBL16000124;DTXSID20428964;AKOS000198314;SB80472;CS-0215910;EN300-30866;Z45497666

Chemical Property of 3-Cyano-N-isopropylbenzenesulfonamide

Chemical Property:

• PSA: 78.34000
• LogP: 2.71668
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.06194880
• Heavy Atom Count: 15
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

3-Cyano-N-isopropylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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