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

• ChemBase ID: 311973
• Molecular Formular: C8H11ClN2O2S
• Molecular Mass: 234.70314
• Monoisotopic Mass: 234.02297628
• SMILES: S(=O)(=O)(c1ccc(cc1)Cl)NCCN
• Canonical SMILES: NCCNS(=O)(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C8H11ClN2O2S/c9-7-1-3-8(4-2-7)14(12,13)11-6-5-10/h1-4,11H,5-6,10H2
• InChIKey: MWEBCGQFQBAAJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-4-chlorobenzene-1-sulfonamide
• IUPAC Traditional name: N-(2-aminoethyl)-4-chlorobenzenesulfonamide
• Synonyms: N-(2-aminoethyl)-4-chlorobenzenesulfonamide

Database IDs

• CAS Number: 83019-90-3
• MDL Number: MFCD03634546

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3225815
• LogD (pH = 7.4): -1.0965779
• Log P: 0.17268321
• Molar Refractivity: 55.8672 cm^3
• Polarizability: 22.739313 Å^3
• Polar Surface Area: 72.19 Å^2