N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethylpyridine-3-sulfonamide

• ChemBase ID: 620020
• Molecular Formular: C11H16N2O4S2
• Molecular Mass: 304.38574
• Monoisotopic Mass: 304.055149
• SMILES: S(=O)(=O)(N(C1CS(=O)(=O)CC1)CC)c1cnccc1
• Canonical SMILES: CCN(S(=O)(=O)c1cccnc1)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C11H16N2O4S2/c1-2-13(10-5-7-18(14,15)9-10)19(16,17)11-4-3-6-12-8-11/h3-4,6,8,10H,2,5,7,9H2,1H3
• InChIKey: MTTSQMPLJUEIAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethylpyridine-3-sulfonamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethylpyridine-3-sulfonamide
• Synonyms: N-(1,1-dioxidotetrahydro-3-thienyl)-N-ethyl-3-pyridinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.054167
• LogD (pH = 7.4): -1.0541524
• Log P: -1.0541521
• Molar Refractivity: 71.152 cm^3
• Polarizability: 29.308191 Å^3
• Polar Surface Area: 84.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.06
• LOG S: -1.37
• Polar Surface Area: 84.41 Å^2
• Rotatable Bonds: 3