4-(hydrazinecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide

• ChemBase ID: 240499
• Molecular Formular: C14H22N4O3S
• Molecular Mass: 326.41448
• Monoisotopic Mass: 326.14126158
• SMILES: S(=O)(=O)(N(C1CCN(CC1)C)C)c1ccc(C(=O)NN)cc1
• Canonical SMILES: NNC(=O)c1ccc(cc1)S(=O)(=O)N(C1CCN(CC1)C)C
• InChI: InChI=1S/C14H22N4O3S/c1-17-9-7-12(8-10-17)18(2)22(20,21)13-5-3-11(4-6-13)14(19)16-15/h3-6,12H,7-10,15H2,1-2H3,(H,16,19)
• InChIKey: HESZYVJOYCNVMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydrazinecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-(hydrazinecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
• Synonyms: 4-(hydrazinocarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

Database IDs

• MDL Number: MFCD06362448
• PubChem SID: 164296409
• PubChem CID: 2546112

CALCULATED PROPERTIES

• Acid pKa: 13.420464
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.6128495
• LogD (pH = 7.4): -0.89585054
• Log P: -0.39240056
• Molar Refractivity: 87.0229 cm^3
• Polarizability: 33.583397 Å^3
• Polar Surface Area: 95.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.222

Product Information

• Purity: 95%