N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

• ChemBase ID: 120520
• Molecular Formular: C16H17NO4S
• Molecular Mass: 319.37548
• Monoisotopic Mass: 319.08782903
• SMILES: S(=O)(=O)(N(c1c(OC)cccc1)CC1OC1)c1ccccc1
• Canonical SMILES: COc1ccccc1N(S(=O)(=O)c1ccccc1)CC1CO1
• InChI: InChI=1S/C16H17NO4S/c1-20-16-10-6-5-9-15(16)17(11-13-12-21-13)22(18,19)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
• InChIKey: LDSMNZLMXLWRGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide
• Synonyms: N-(2-methoxyphenyl)-N-(oxiran-2-ylmethyl)benzenesulfonamide

Database IDs

• PubChem SID: 162214873
• PubChem CID: 2771918

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3681824
• LogD (pH = 7.4): 2.3681824
• Log P: 2.3681824
• Molar Refractivity: 82.9948 cm^3
• Polarizability: 33.20731 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true