3-benzyl-2-oxoimidazolidine-1-sulfonyl chloride

• ChemBase ID: 260447
• Molecular Formular: C10H11ClN2O3S
• Molecular Mass: 274.72394
• Monoisotopic Mass: 274.0178909
• SMILES: N1(S(=O)(=O)Cl)C(=O)N(CC1)Cc1ccccc1
• Canonical SMILES: O=C1N(CCN1S(=O)(=O)Cl)Cc1ccccc1
• InChI: InChI=1S/C10H11ClN2O3S/c11-17(15,16)13-7-6-12(10(13)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
• InChIKey: NRJVEVIRPYLODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-2-oxoimidazolidine-1-sulfonyl chloride
• IUPAC Traditional name: 3-benzyl-2-oxoimidazolidine-1-sulfonyl chloride
• Synonyms: 3-benzyl-2-oxoimidazolidine-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD12197207
• PubChem SID: 164316357
• PubChem CID: 45791586

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2280074
• LogD (pH = 7.4): 1.2280074
• Log P: 1.2280074
• Molar Refractivity: 64.4542 cm^3
• Polarizability: 25.496622 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 1.498

Product Information

• Purity: 95%