N-(2-fluoroethyl)-3-{[1-(1,3-thiazol-2-yl)propyl]sulfamoyl}benzamide

• ChemBase ID: 404061
• Molecular Formular: C15H18FN3O3S2
• Molecular Mass: 371.4501232
• Monoisotopic Mass: 371.07736167
• SMILES: S(=O)(=O)(NC(c1nccs1)CC)c1cc(C(=O)NCCF)ccc1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)NC(c1nccs1)CC
• InChI: InChI=1S/C15H18FN3O3S2/c1-2-13(15-18-8-9-23-15)19-24(21,22)12-5-3-4-11(10-12)14(20)17-7-6-16/h3-5,8-10,13,19H,2,6-7H2,1H3,(H,17,20)
• InChIKey: YPRVJJIDVXIFPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[1-(1,3-thiazol-2-yl)propyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-{[1-(1,3-thiazol-2-yl)propyl]sulfamoyl}benzamide
• Synonyms: N-(2-fluoroethyl)-3-({[1-(1,3-thiazol-2-yl)propyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.851587
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6258004
• LogD (pH = 7.4): 1.6246182
• Log P: 1.6259778
• Molar Refractivity: 89.8538 cm^3
• Polarizability: 34.863987 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.26
• LOG S: -3.84
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 7