3-amino-N,N-dimethyl-4-(morpholin-4-yl)benzene-1-sulfonamide

• ChemBase ID: 243244
• Molecular Formular: C12H19N3O3S
• Molecular Mass: 285.36256
• Monoisotopic Mass: 285.11471248
• SMILES: S(=O)(=O)(c1cc(c(N2CCOCC2)cc1)N)N(C)C
• Canonical SMILES: Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C12H19N3O3S/c1-14(2)19(16,17)10-3-4-12(11(13)9-10)15-5-7-18-8-6-15/h3-4,9H,5-8,13H2,1-2H3
• InChIKey: PZUZCFUAZCRANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dimethyl-4-(morpholin-4-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 3-amino-N,N-dimethyl-4-(morpholin-4-yl)benzenesulfonamide
• Synonyms: 3-amino-N,N-dimethyl-4-(morpholin-4-yl)benzene-1-sulfonamide

Database IDs

• MDL Number: MFCD10032291
• PubChem SID: 164299154
• PubChem CID: 28795756

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.08709593
• LogD (pH = 7.4): 0.08724428
• Log P: 0.08724617
• Molar Refractivity: 76.2128 cm^3
• Polarizability: 28.939308 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 0.158

Product Information

• Purity: 95%