N-(2-aminoethyl)-5-chlorothiophene-2-sulfonamide hydrochloride

• ChemBase ID: 242110
• Molecular Formular: C6H10Cl2N2O2S2
• Molecular Mass: 277.1918
• Monoisotopic Mass: 275.95607493
• SMILES: S(=O)(=O)(c1sc(cc1)Cl)NCCN.Cl
• Canonical SMILES: NCCNS(=O)(=O)c1ccc(s1)Cl.Cl
• InChI: InChI=1S/C6H9ClN2O2S2.ClH/c7-5-1-2-6(12-5)13(10,11)9-4-3-8;/h1-2,9H,3-4,8H2;1H
• InChIKey: GVSDBIZWDMPGKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22565981
• PubChem SID: 164298020
• PubChem CID: 71756943

CALCULATED PROPERTIES

• Acid pKa: 8.251368
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1438046
• LogD (pH = 7.4): -0.7805159
• Log P: -0.046078417
• Molar Refractivity: 51.2928 cm^3
• Polarizability: 21.588959 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 1.212

Product Information

• Purity: 95%