4-(hydrazinecarbonyl)-N-[3-(morpholin-4-yl)propyl]benzene-1-sulfonamide

• ChemBase ID: 264979
• Molecular Formular: C14H22N4O4S
• Molecular Mass: 342.41388
• Monoisotopic Mass: 342.1361762
• SMILES: S(=O)(=O)(c1ccc(C(=O)NN)cc1)NCCCN1CCOCC1
• Canonical SMILES: NNC(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1
• InChI: InChI=1S/C14H22N4O4S/c15-17-14(19)12-2-4-13(5-3-12)23(20,21)16-6-1-7-18-8-10-22-11-9-18/h2-5,16H,1,6-11,15H2,(H,17,19)
• InChIKey: RBRTYRVWKICVBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydrazinecarbonyl)-N-[3-(morpholin-4-yl)propyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-(hydrazinecarbonyl)-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
• Synonyms: 4-(hydrazinecarbonyl)-N-[3-(morpholin-4-yl)propyl]benzene-1-sulfonamide

Database IDs

• MDL Number: MFCD06364945
• PubChem SID: 164320889
• PubChem CID: 2565897

CALCULATED PROPERTIES

• Acid pKa: 9.866896
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.5036957
• LogD (pH = 7.4): -0.80675995
• Log P: -0.7827789
• Molar Refractivity: 88.6341 cm^3
• Polarizability: 34.31124 Å^3
• Polar Surface Area: 113.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.166

Product Information

• Purity: 95%