4H,5H,6H,7H-thieno[3,2-c]pyridine-5-sulfonamide

• ChemBase ID: 267427
• Molecular Formular: C7H10N2O2S2
• Molecular Mass: 218.2965
• Monoisotopic Mass: 218.01836957
• SMILES: S(=O)(=O)(N1Cc2c(scc2)CC1)N
• Canonical SMILES: NS(=O)(=O)N1CCc2c(C1)ccs2
• InChI: InChI=1S/C7H10N2O2S2/c8-13(10,11)9-3-1-7-6(5-9)2-4-12-7/h2,4H,1,3,5H2,(H2,8,10,11)
• InChIKey: OGPYZYVHFPCNHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-sulfonamide
• IUPAC Traditional name: 4H,6H,7H-thieno[3,2-c]pyridine-5-sulfonamide
• Synonyms: 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-sulfonamide

Database IDs

• MDL Number: MFCD11205222
• PubChem SID: 164323337
• PubChem CID: 43132055

CALCULATED PROPERTIES

• Acid pKa: 11.100789
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13329025
• LogD (pH = 7.4): 0.1332146
• Log P: 0.13329121
• Molar Refractivity: 51.5575 cm^3
• Polarizability: 20.694998 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.466

Product Information

• Purity: 95%