ethyl 2-[(chlorosulfonyl)(methyl)amino]acetate

• ChemBase ID: 283072
• Molecular Formular: C5H10ClNO4S
• Molecular Mass: 215.6552
• Monoisotopic Mass: 215.00190649
• SMILES: S(=O)(=O)(N(CC(=O)OCC)C)Cl
• Canonical SMILES: CCOC(=O)CN(S(=O)(=O)Cl)C
• InChI: InChI=1S/C5H10ClNO4S/c1-3-11-5(8)4-7(2)12(6,9)10/h3-4H2,1-2H3
• InChIKey: SKJKGVDXYYQGPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(chlorosulfonyl)(methyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(chlorosulfonyl)(methyl)amino]acetate
• Synonyms: ethyl 2-[(chlorosulfonyl)(methyl)amino]acetate

Database IDs

• MDL Number: MFCD14687578
• PubChem SID: 180668603
• PubChem CID: 54595602

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.22299421
• LogD (pH = 7.4): -0.22299421
• Log P: -0.22299421
• Molar Refractivity: 44.2736 cm^3
• Polarizability: 18.191547 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.075

Product Information

• Purity: 95%