N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride

• ChemBase ID: 243195
• Molecular Formular: C12H14Cl2N2O2S2
• Molecular Mass: 353.28776
• Monoisotopic Mass: 351.98737506
• SMILES: S(=O)(=O)(c1sc(cc1)Cl)NCC(c1ccccc1)N.Cl
• Canonical SMILES: Clc1ccc(s1)S(=O)(=O)NCC(c1ccccc1)N.Cl
• InChI: InChI=1S/C12H13ClN2O2S2.ClH/c13-11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-2-1-3-5-9;/h1-7,10,15H,8,14H2;1H
• InChIKey: SRTDQSAYBZGJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride
• IUPAC Traditional name: N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride
• Synonyms: N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD22578615
• PubChem SID: 164299105
• PubChem CID: 71757195

CALCULATED PROPERTIES

• Acid pKa: 8.156708
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.24873166
• LogD (pH = 7.4): 1.2663125
• Log P: 1.6914318
• Molar Refractivity: 75.5756 cm^3
• Polarizability: 31.069403 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.701

Product Information

• Purity: 95%