3-[(dimethylsulfamoyl)amino]phenol

• ChemBase ID: 311912
• Molecular Formular: C8H12N2O3S
• Molecular Mass: 216.25748
• Monoisotopic Mass: 216.05686325
• SMILES: S(=O)(=O)(Nc1cc(O)ccc1)N(C)C
• Canonical SMILES: Oc1cccc(c1)NS(=O)(=O)N(C)C
• InChI: InChI=1S/C8H12N2O3S/c1-10(2)14(12,13)9-7-4-3-5-8(11)6-7/h3-6,9,11H,1-2H3
• InChIKey: AHZQSWQALJXNQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(dimethylsulfamoyl)amino]phenol
• IUPAC Traditional name: 3-[(dimethylsulfamoyl)amino]phenol
• Synonyms: N'-(3-hydroxyphenyl)-N,N-dimethylsulfamide

Database IDs

• CAS Number: 539807-29-9
• MDL Number: MFCD03326167

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.030372987
• Log P: 0.034117408
• Molar Refractivity: 53.2902 cm^3
• Polarizability: 21.489105 Å^3
• Polar Surface Area: 69.64 Å^2
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.03406882