5-amino-2-ethoxy-N,N-diethylbenzene-1-sulfonamide

• ChemBase ID: 237843
• Molecular Formular: C12H20N2O3S
• Molecular Mass: 272.3638
• Monoisotopic Mass: 272.11946351
• SMILES: S(=O)(=O)(c1cc(N)ccc1OCC)N(CC)CC
• Canonical SMILES: CCOc1ccc(cc1S(=O)(=O)N(CC)CC)N
• InChI: InChI=1S/C12H20N2O3S/c1-4-14(5-2)18(15,16)12-9-10(13)7-8-11(12)17-6-3/h7-9H,4-6,13H2,1-3H3
• InChIKey: PGMYHXHFBXZAAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-ethoxy-N,N-diethylbenzene-1-sulfonamide
• IUPAC Traditional name: 5-amino-2-ethoxy-N,N-diethylbenzenesulfonamide
• Synonyms: 5-amino-2-ethoxy-N,N-diethylbenzenesulfonamide

Database IDs

• MDL Number: MFCD06342800
• PubChem SID: 164293753
• PubChem CID: 4658328

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.107647
• LogD (pH = 7.4): 1.1104199
• Log P: 1.1104554
• Molar Refractivity: 73.4187 cm^3
• Polarizability: 28.488075 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.77

Product Information

• Purity: 95%