4-[(dimethylsulfamoyl)amino]benzene-1-sulfonyl chloride

• ChemBase ID: 309014
• Molecular Formular: C8H11ClN2O4S2
• Molecular Mass: 298.76694
• Monoisotopic Mass: 297.98487652
• SMILES: S(=O)(=O)(Nc1ccc(S(=O)(=O)Cl)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Cl)C
• InChI: InChI=1S/C8H11ClN2O4S2/c1-11(2)17(14,15)10-7-3-5-8(6-4-7)16(9,12)13/h3-6,10H,1-2H3
• InChIKey: REYFOINVYIDCJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethylsulfamoyl)amino]benzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-[(dimethylsulfamoyl)amino]benzenesulfonyl chloride
• Synonyms: 4-{[(dimethylamino)sulfonyl]amino}benzenesulfonyl chloride

Database IDs

• CAS Number: 881005-34-1
• MDL Number: MFCD13188601

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.28389663
• LogD (pH = 7.4): 0.2771028
• Log P: 0.28398576
• Molar Refractivity: 65.5035 cm^3
• Polarizability: 27.041494 Å^3
• Polar Surface Area: 83.55 Å^2