3-(morpholine-4-sulfonyl)benzohydrazide

• ChemBase ID: 230450
• Molecular Formular: C11H15N3O4S
• Molecular Mass: 285.3195
• Monoisotopic Mass: 285.07832698
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(C(=O)NN)ccc1
• Canonical SMILES: NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C11H15N3O4S/c12-13-11(15)9-2-1-3-10(8-9)19(16,17)14-4-6-18-7-5-14/h1-3,8H,4-7,12H2,(H,13,15)
• InChIKey: FWIFKKUOURUDNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholine-4-sulfonyl)benzohydrazide
• IUPAC Traditional name: 3-(morpholine-4-sulfonyl)benzohydrazide
• Synonyms: 3-(Morpholine-4-sulfonyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD01141530
• PubChem SID: 164286360
• PubChem CID: 877246

CALCULATED PROPERTIES

• Acid pKa: 13.44109
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.6384902
• LogD (pH = 7.4): -0.63771737
• Log P: -0.6377071
• Molar Refractivity: 70.6463 cm^3
• Polarizability: 27.300034 Å^3
• Polar Surface Area: 101.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): -0.334

Product Information

• Purity: 95%