5-[4-(piperazin-1-yl)phenyl]thiophene-2-sulfonamide

• ChemBase ID: 502299
• Molecular Formular: C14H17N3O2S2
• Molecular Mass: 323.43368
• Monoisotopic Mass: 323.0762188
• SMILES: S(=O)(=O)(c1sc(cc1)c1ccc(N2CCNCC2)cc1)N
• Canonical SMILES: NS(=O)(=O)c1ccc(s1)c1ccc(cc1)N1CCNCC1
• InChI: InChI=1S/C14H17N3O2S2/c15-21(18,19)14-6-5-13(20-14)11-1-3-12(4-2-11)17-9-7-16-8-10-17/h1-6,16H,7-10H2,(H2,15,18,19)
• InChIKey: FVBKFQVUSIHHPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(piperazin-1-yl)phenyl]thiophene-2-sulfonamide
• IUPAC Traditional name: 5-[4-(piperazin-1-yl)phenyl]thiophene-2-sulfonamide
• Synonyms: 5-(4-piperazin-1-ylphenyl)thiophene-2-sulfonamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.72
• LOG S: -1.17
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 2
• LogD (pH = 5.5): -1.2455825
• LogD (pH = 7.4): 0.2844531
• Log P: 1.2669656
• Molar Refractivity: 84.5859 cm^3
• Polarizability: 34.532707 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 9.233083
• H Acceptors: 4