N-hexadecylpyrene-1-sulfonamide

• ChemBase ID: 155973
• Molecular Formular: C32H43NO2S
• Molecular Mass: 505.75432
• Monoisotopic Mass: 505.30145062
• SMILES: CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4c3c2c1cc4
• Canonical SMILES: CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C32H43NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-33-36(34,35)30-24-22-28-20-19-26-17-16-18-27-21-23-29(30)32(28)31(26)27/h16-24,33H,2-15,25H2,1H3
• InChIKey: FAXRWJMTLJBKAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hexadecylpyrene-1-sulfonamide
• IUPAC Traditional name: N-hexadecylpyrene-1-sulfonamide
• Synonyms: N-(Pyrene-1-sulfonyl)hexadecylamine; N-Hexadecylpyrene-1-sulfonamide

Database IDs

• MDL Number: MFCD01863069
• PubChem SID: 24874330; 162250111
• PubChem CID: 3601339

CALCULATED PROPERTIES

• Acid pKa: 9.881049
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 9.772342
• LogD (pH = 7.4): 9.771089
• Log P: 9.772357
• Molar Refractivity: 152.8628 cm^3
• Polarizability: 64.38674 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: chloroform: soluble; DMSO: soluble; methanol: soluble
• Fluorescence: λex 350 nm; λem 400 nm in methanol

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (TLC)
• Suitability: suitable for fluorescence
• Empirical Formula (Hill Notation): C32H43NO2S

DETAILS

Sigma Aldrich - 52335

Application
Neutral lipophilic fluorescent probe