1-(hydrazinecarbonyl)-N-methyl-S-(4-methylphenyl)methanesulfonamido

• ChemBase ID: 230597
• Molecular Formular: C10H15N3O3S
• Molecular Mass: 257.3094
• Monoisotopic Mass: 257.08341236
• SMILES: S(=O)(=O)(N(CC(=O)NN)C)c1ccc(cc1)C
• Canonical SMILES: NNC(=O)CN(S(=O)(=O)c1ccc(cc1)C)C
• InChI: InChI=1S/C10H15N3O3S/c1-8-3-5-9(6-4-8)17(15,16)13(2)7-10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14)
• InChIKey: JYLCEIRMCAOKST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-methyl-S-(4-methylphenyl)methanesulfonamido
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-methyl-S-(4-methylphenyl)methanesulfonamido
• Synonyms: N-Hydrazinocarbonylmethyl-4,N-dimethyl-benzenesulfonamide

Database IDs

• MDL Number: MFCD00686911
• PubChem SID: 164286507
• PubChem CID: 2302661

CALCULATED PROPERTIES

• Acid pKa: 11.8576
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.08633017
• LogD (pH = 7.4): -0.08541042
• Log P: -0.08538489
• Molar Refractivity: 65.4414 cm^3
• Polarizability: 25.580305 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.458

Product Information

• Purity: 95%