3-[4-(morpholine-4-sulfonyl)phenyl]propanehydrazide

• ChemBase ID: 230521
• Molecular Formular: C13H19N3O4S
• Molecular Mass: 313.37266
• Monoisotopic Mass: 313.1096271
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(cc1)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C13H19N3O4S/c14-15-13(17)6-3-11-1-4-12(5-2-11)21(18,19)16-7-9-20-10-8-16/h1-2,4-5H,3,6-10,14H2,(H,15,17)
• InChIKey: PMVFBHGLLLDCPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(morpholine-4-sulfonyl)phenyl]propanehydrazide
• IUPAC Traditional name: 3-[4-(morpholine-4-sulfonyl)phenyl]propanehydrazide
• Synonyms: 3-[4-(Morpholine-4-sulfonyl)-phenyl]-propionic acid hydrazide

Database IDs

• MDL Number: MFCD02720605
• PubChem SID: 164286431
• PubChem CID: 2380270

CALCULATED PROPERTIES

• Acid pKa: 11.754945
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.21552414
• LogD (pH = 7.4): -0.21302292
• Log P: -0.21297309
• Molar Refractivity: 79.2987 cm^3
• Polarizability: 31.159645 Å^3
• Polar Surface Area: 101.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): -0.386

Product Information

• Purity: 95%