3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzene-1-sulfonamide

• ChemBase ID: 232529
• Molecular Formular: C18H24N2O4S
• Molecular Mass: 364.45916
• Monoisotopic Mass: 364.14567826
• SMILES: S(=O)(=O)(c1cc(c(Oc2ccc(cc2)OCC)cc1)N)N(CC)CC
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccc(cc1N)S(=O)(=O)N(CC)CC
• InChI: InChI=1S/C18H24N2O4S/c1-4-20(5-2)25(21,22)16-11-12-18(17(19)13-16)24-15-9-7-14(8-10-15)23-6-3/h7-13H,4-6,19H2,1-3H3
• InChIKey: WNFGETLQYJCOFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzene-1-sulfonamide
• IUPAC Traditional name: 3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzenesulfonamide
• Synonyms: 3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzenesulfonamide

Database IDs

• MDL Number: MFCD04617222
• PubChem SID: 164288439
• PubChem CID: 3827199

CALCULATED PROPERTIES

• Acid pKa: 18.528107
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6107202
• LogD (pH = 7.4): 2.6107423
• Log P: 2.6107426
• Molar Refractivity: 99.6595 cm^3
• Polarizability: 38.79988 Å^3
• Polar Surface Area: 81.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.394

Product Information

• Purity: 95%