1-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid
• CAS No.: 690646-08-3
• Molecular Formula: C13H15 Cl F N O4 S
• Molecular Weight: 335.77900
• DSSTox Substance ID: DTXSID70359577
• Wikidata: Q82140849
• ChEMBL ID: CHEMBL1328899
• Mol file: 690646-08-3.mol

Synonyms:690646-08-3;1-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid;1-((3-chloro-4-fluorophenyl)sulfonamido)cyclohexane-1-carboxylic acid;1-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid;1-([(3-CHLORO-4-FLUOROPHENYL)SULFONYL]AMINO)CYCLOHEXANECARBOXYLIC ACID;SMR000077674;CBKinase1_007690;CBKinase1_020090;MLS000064798;MLS002546889;CHEMBL1328899;DTXSID70359577;HMS2441I04;AKOS000813241;BRD-K83135386-001-01-1;F9995-0637

Chemical Property of 1-{[(3-Chloro-4-fluorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid

Chemical Property:

• PSA: 91.85000
• LogP: 4.01660
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 335.0394350
• Heavy Atom Count: 21
• Complexity: 487

Purity/Quality:

99% ^*data from raw suppliers

1-([(3-CHLORO-4-FLUOROPHENYL)SULFONYL]AMINO)CYCLOHEXANECARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl