5-(dimethylsulfamoyl)thiophene-2-sulfonyl chloride

• ChemBase ID: 275006
• Molecular Formular: C6H8ClNO4S3
• Molecular Mass: 289.78002
• Monoisotopic Mass: 288.93039842
• SMILES: S(=O)(=O)(c1sc(S(=O)(=O)Cl)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc(s1)S(=O)(=O)Cl)C
• InChI: InChI=1S/C6H8ClNO4S3/c1-8(2)15(11,12)6-4-3-5(13-6)14(7,9)10/h3-4H,1-2H3
• InChIKey: IZGUQXWCBSTQSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18839052
• PubChem SID: 164330916
• PubChem CID: 54593464

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0853657
• LogD (pH = 7.4): 1.0853657
• Log P: 1.0853657
• Molar Refractivity: 57.6291 cm^3
• Polarizability: 24.361416 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.914

Product Information

• Purity: 95%