2-amino-4-methoxybenzene-1-sulfonamide

• ChemBase ID: 265280
• Molecular Formular: C7H10N2O3S
• Molecular Mass: 202.2309
• Monoisotopic Mass: 202.04121319
• SMILES: S(=O)(=O)(c1c(cc(cc1)OC)N)N
• Canonical SMILES: COc1ccc(c(c1)N)S(=O)(=O)N
• InChI: InChI=1S/C7H10N2O3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
• InChIKey: KQDZEDHMFMVZRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: 2-amino-4-methoxybenzenesulfonamide
• Synonyms: 2-amino-4-methoxybenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD08899082
• PubChem SID: 164321190
• PubChem CID: 12525394

CALCULATED PROPERTIES

• Acid pKa: 10.832556
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.40733352
• LogD (pH = 7.4): -0.40746287
• Log P: -0.40732065
• Molar Refractivity: 49.3795 cm^3
• Polarizability: 19.335876 Å^3
• Polar Surface Area: 95.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.244

Product Information

• Purity: 95%