N-(2-aminoethyl)-4-methoxybenzene-1-sulfonamide

• ChemBase ID: 311979
• Molecular Formular: C9H14N2O3S
• Molecular Mass: 230.28406
• Monoisotopic Mass: 230.07251332
• SMILES: S(=O)(=O)(c1ccc(cc1)OC)NCCN
• Canonical SMILES: NCCNS(=O)(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C9H14N2O3S/c1-14-8-2-4-9(5-3-8)15(12,13)11-7-6-10/h2-5,11H,6-7,10H2,1H3
• InChIKey: DXJTYJVSEICHGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-4-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-(2-aminoethyl)-4-methoxybenzenesulfonamide
• Synonyms: N-(2-aminoethyl)-4-methoxybenzenesulfonamide

Database IDs

• CAS Number: 90566-22-6
• MDL Number: MFCD03634547

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0875266
• LogD (pH = 7.4): -1.871492
• Log P: -0.31974584
• Molar Refractivity: 57.5256 cm^3
• Polarizability: 23.358316 Å^3
• Polar Surface Area: 81.42 Å^2