5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride

• ChemBase ID: 275007
• Molecular Formular: C8H12ClNO4S3
• Molecular Mass: 317.83318
• Monoisotopic Mass: 316.96169855
• SMILES: S(=O)(=O)(c1sc(S(=O)(=O)Cl)cc1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(s1)S(=O)(=O)Cl)CC
• InChI: InChI=1S/C8H12ClNO4S3/c1-3-10(4-2)17(13,14)8-6-5-7(15-8)16(9,11)12/h5-6H,3-4H2,1-2H3
• InChIKey: ZTWOJKSICOOLKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride
• IUPAC Traditional name: 5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride
• Synonyms: 5-(diethylsulfamoyl)thiophene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD18839053
• PubChem SID: 164330917
• PubChem CID: 54593465

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7989815
• LogD (pH = 7.4): 1.7989815
• Log P: 1.7989815
• Molar Refractivity: 67.1263 cm^3
• Polarizability: 27.97474 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.144

Product Information

• Purity: 95%