5-(4-chloro-1H-indazol-1-yl)thiophene-2-sulfonamide

• ChemBase ID: 614937
• Molecular Formular: C11H8ClN3O2S2
• Molecular Mass: 313.78312
• Monoisotopic Mass: 312.97464619
• SMILES: n1(c2sc(S(=O)(=O)N)cc2)ncc2c1cccc2Cl
• Canonical SMILES: Clc1cccc2c1cnn2c1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C11H8ClN3O2S2/c12-8-2-1-3-9-7(8)6-14-15(9)10-4-5-11(18-10)19(13,16)17/h1-6H,(H2,13,16,17)
• InChIKey: KAOIBSMAJLDWTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-chloro-1H-indazol-1-yl)thiophene-2-sulfonamide
• IUPAC Traditional name: 5-(4-chloroindazol-1-yl)thiophene-2-sulfonamide
• Synonyms: 5-(4-chloro-1H-indazol-1-yl)thiophene-2-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.263928
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4003823
• LogD (pH = 7.4): 2.395228
• Log P: 2.4004517
• Molar Refractivity: 73.1357 cm^3
• Polarizability: 30.141718 Å^3
• Polar Surface Area: 77.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.83
• LOG S: -3.91
• Polar Surface Area: 77.98 Å^2
• Rotatable Bonds: 2