5-(pyrrolidine-1-sulfonyl)thiophene-2-sulfonyl chloride

• ChemBase ID: 275009
• Molecular Formular: C8H10ClNO4S3
• Molecular Mass: 315.8173
• Monoisotopic Mass: 314.94604849
• SMILES: S(=O)(=O)(c1sc(S(=O)(=O)Cl)cc1)N1CCCC1
• Canonical SMILES: O=S(=O)(c1ccc(s1)S(=O)(=O)Cl)N1CCCC1
• InChI: InChI=1S/C8H10ClNO4S3/c9-16(11,12)7-3-4-8(15-7)17(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2
• InChIKey: CHQJUABZGOEZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrrolidine-1-sulfonyl)thiophene-2-sulfonyl chloride
• IUPAC Traditional name: 5-(pyrrolidine-1-sulfonyl)thiophene-2-sulfonyl chloride
• Synonyms: 5-(pyrrolidine-1-sulfonyl)thiophene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD18839055
• PubChem SID: 164330919
• PubChem CID: 54593467

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4911631
• LogD (pH = 7.4): 1.4911631
• Log P: 1.4911631
• Molar Refractivity: 65.1701 cm^3
• Polarizability: 27.279552 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.28

Product Information

• Purity: 95%