N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzene-1-sulfonamide

• ChemBase ID: 242100
• Molecular Formular: C13H22N4O3S
• Molecular Mass: 314.40378
• Monoisotopic Mass: 314.14126158
• SMILES: S(=O)(=O)(c1ccc(C(=O)NN)cc1)NCCN(CC)CC
• Canonical SMILES: CCN(CCNS(=O)(=O)c1ccc(cc1)C(=O)NN)CC
• InChI: InChI=1S/C13H22N4O3S/c1-3-17(4-2)10-9-15-21(19,20)12-7-5-11(6-8-12)13(18)16-14/h5-8,15H,3-4,9-10,14H2,1-2H3,(H,16,18)
• InChIKey: BGEQEYUTSFOFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzene-1-sulfonamide
• IUPAC Traditional name: N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzenesulfonamide
• Synonyms: N-[2-(diethylamino)ethyl]-4-(hydrazinocarbonyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD06368760
• PubChem SID: 164298010
• PubChem CID: 2446584

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.6546724
• Log P: -0.0064736763
• Molar Refractivity: 84.1914 cm^3
• Polarizability: 32.46768 Å^3
• Polar Surface Area: 104.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 9.869948
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -2.4227383

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.025

Product Information

• Purity: 95%