4-(5-formylfuran-2-yl)-N,N-dimethylbenzene-1-sulfonamide

• ChemBase ID: 252271
• Molecular Formular: C13H13NO4S
• Molecular Mass: 279.31162
• Monoisotopic Mass: 279.0565289
• SMILES: S(=O)(=O)(c1ccc(c2oc(cc2)C=O)cc1)N(C)C
• Canonical SMILES: O=Cc1ccc(o1)c1ccc(cc1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C13H13NO4S/c1-14(2)19(16,17)12-6-3-10(4-7-12)13-8-5-11(9-15)18-13/h3-9H,1-2H3
• InChIKey: ZZJZMERSFNGTFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-formylfuran-2-yl)-N,N-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-(5-formylfuran-2-yl)-N,N-dimethylbenzenesulfonamide
• Synonyms: 4-(5-formyl-2-furyl)-N,N-dimethylbenzenesulfonamide

Database IDs

• MDL Number: MFCD06250084
• PubChem SID: 164308181
• PubChem CID: 4150793

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3666042
• LogD (pH = 7.4): 1.3666042
• Log P: 1.3666042
• Molar Refractivity: 71.9979 cm^3
• Polarizability: 29.01098 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.008

Product Information

• Purity: 95%