naphthalene-2-sulfonamide

• ChemBase ID: 141954
• Molecular Formular: C10H9NO2S
• Molecular Mass: 207.24896
• Monoisotopic Mass: 207.03539953
• SMILES: c1ccc2cc(ccc2c1)S(=O)(=O)N
• Canonical SMILES: NS(=O)(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)
• InChIKey: SWBLLSQMOMPTMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2-sulfonamide
• IUPAC Traditional name: 2naphthylsulfonamide
• Synonyms: Naphthalene-2-sulfonamide; 萘-2-磺酰胺

Database IDs

• CAS Number: 1576-47-2
• MDL Number: MFCD00051931
• Beilstein Number: 1955730
• PubChem SID: 24882600; 162236186
• PubChem CID: 232997

CALCULATED PROPERTIES

• Acid pKa: 10.128931
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5687443
• LogD (pH = 7.4): 1.5680358
• Log P: 1.5687534
• Molar Refractivity: 54.6661 cm^3
• Polarizability: 23.106716 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215-219 °C(lit.); 215-222°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H9NO2S

DETAILS

Sigma Aldrich - 634077

Packaging
1, 10 g in glass bottle