(9H-fluoren-9-yl)methyl N-[2-(chlorosulfonyl)ethyl]carbamate

• ChemBase ID: 806223
• Molecular Formular: C17H16ClNO4S
• Molecular Mass: 365.83124
• Monoisotopic Mass: 365.04885668
• SMILES: C(CNC(=O)OCC1c2ccccc2c2c1cccc2)S(=O)(=O)Cl
• Canonical SMILES: O=C(OCC1c2ccccc2c2c1cccc2)NCCS(=O)(=O)Cl
• InChI: InChI=1S/C17H16ClNO4S/c18-24(21,22)10-9-19-17(20)23-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,20)
• InChIKey: CZYCFUHNECALIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl N-[2-(chlorosulfonyl)ethyl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[2-(chlorosulfonyl)ethyl]carbamate
• Synonyms: 2-FMOC-AMINO ETHANESULFONYL CHLORIDE

Database IDs

• CAS Number: 187089-27-6

CALCULATED PROPERTIES

• Acid pKa: 13.80795
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7842565
• LogD (pH = 7.4): 2.7842565
• Log P: 2.7842565
• Molar Refractivity: 92.2566 cm^3
• Polarizability: 37.71115 Å^3
• Polar Surface Area: 72.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%