2-fluoro-N-[3-(1H-indazol-1-yl)propyl]-5-sulfamoylbenzamide

• ChemBase ID: 351276
• Molecular Formular: C17H17FN4O3S
• Molecular Mass: 376.4052832
• Monoisotopic Mass: 376.10053964
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCCn2ncc3c2cccc3)c(cc1)F)N
• Canonical SMILES: O=C(c1cc(ccc1F)S(=O)(=O)N)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C17H17FN4O3S/c18-15-7-6-13(26(19,24)25)10-14(15)17(23)20-8-3-9-22-16-5-2-1-4-12(16)11-21-22/h1-2,4-7,10-11H,3,8-9H2,(H,20,23)(H2,19,24,25)
• InChIKey: LNGCBZYAQDXBFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-[3-(1H-indazol-1-yl)propyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-[3-(indazol-1-yl)propyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-[3-(1H-indazol-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.551664
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1046656
• LogD (pH = 7.4): 1.1020104
• Log P: 1.1047134
• Molar Refractivity: 106.5929 cm^3
• Polarizability: 37.562153 Å^3
• Polar Surface Area: 107.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.67
• LOG S: -3.37
• Polar Surface Area: 107.08 Å^2
• Rotatable Bonds: 6