2-amino-N,N-dimethylbenzene-1-sulfonamide

• ChemBase ID: 66940
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: c1(c(cccc1)N)S(=O)(=O)N(C)C
• Canonical SMILES: Nc1ccccc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
• InChIKey: GUWXWPWKFMLCPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: 2-amino-N,N-dimethylbenzenesulfonamide
• Synonyms: 2-Amino-N,N-dimethylbenzenesulfonamide

Database IDs

• CAS Number: 54468-86-9
• MDL Number: MFCD04035363
• PubChem SID: 162032676
• PubChem CID: 1132818

CALCULATED PROPERTIES

• Acid pKa: 17.66901
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19766663
• LogD (pH = 7.4): 0.1977023
• Log P: 0.19770277
• Molar Refractivity: 52.7097 cm^3
• Polarizability: 20.44641 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%