cyclopropanesulfonamide

• ChemBase ID: 51535
• Molecular Formular: C3H7NO2S
• Molecular Mass: 121.15818
• Monoisotopic Mass: 121.01974947
• SMILES: C1(CC1)S(=O)(=O)N
• Canonical SMILES: NS(=O)(=O)C1CC1
• InChI: InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6)
• InChIKey: WMSPXQIQBQAWLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanesulfonamide
• IUPAC Traditional name: cyclopropanesulfonamide
• Synonyms: Sulphamoylcyclopropane; Cyclopropanesulphonamide; Cyclopropanesulfonamide; Cyclopropanesulfonyl amide; Cyclopropanesulfonamide; 环丙磺酰胺; 环丙烷磺酰胺

Database IDs

• CAS Number: 154350-29-5; 154350-28-4
• MDL Number: MFCD08705286
• PubChem SID: 24885195; 162056298
• PubChem CID: 15765418

CALCULATED PROPERTIES

• Acid pKa: 12.34137
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7653066
• LogD (pH = 7.4): -0.76531094
• Log P: -0.76530653
• Molar Refractivity: 25.5257 cm^3
• Polarizability: 10.942864 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-106 °C; 101-106°C; 101-106°C
• Hydrophobicity(logP): -0.91

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT-HARMFUL
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H319; H302-H319
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P321-P405-P501; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C3H7NO2S

DETAILS

Sigma Aldrich - 674060

Packaging
1, 5 g in glass bottle