2,6-dichloro-N-(thiophene-2-sulfonyl)pyridine-4-carboximidamide

• ChemBase ID: 84456
• Molecular Formular: C10H7Cl2N3O2S2
• Molecular Mass: 336.21748
• Monoisotopic Mass: 334.93567384
• SMILES: S(=O)(=O)(c1cccs1)NC(=N)c1cc(nc(c1)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)cc(c1)C(=N)NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C10H7Cl2N3O2S2/c11-7-4-6(5-8(12)14-7)10(13)15-19(16,17)9-2-1-3-18-9/h1-5H,(H2,13,15)
• InChIKey: JKOLOSSZDQDGAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N-(thiophene-2-sulfonyl)pyridine-4-carboximidamide
• IUPAC Traditional name: 2,6-dichloro-N-(thiophene-2-sulfonyl)pyridine-4-carboximidamide
• Synonyms: N-[(2,6-dichloropyridin-4-yl)(imino)methyl]thiophene-2-sulphonamide

Database IDs

• MDL Number: MFCD02089967
• PubChem SID: 162071572
• PubChem CID: 5709566

CALCULATED PROPERTIES

• Acid pKa: 8.424938
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8114612
• LogD (pH = 7.4): 2.7773974
• Log P: 2.81193
• Molar Refractivity: 86.7653 cm^3
• Polarizability: 29.626366 Å^3
• Polar Surface Area: 82.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true