N-(2-fluoroethyl)-3-{[(1R,2S)-2-phenylcyclopropyl]sulfamoyl}benzamide

• ChemBase ID: 317585
• Molecular Formular: C18H19FN2O3S
• Molecular Mass: 362.4184632
• Monoisotopic Mass: 362.1100417
• SMILES: S(=O)(=O)(N[C@H]1[C@@H](C1)c1ccccc1)c1cc(C(=O)NCCF)ccc1
• Canonical SMILES: FCCNC(=O)c1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C18H19FN2O3S/c19-9-10-20-18(22)14-7-4-8-15(11-14)25(23,24)21-17-12-16(17)13-5-2-1-3-6-13/h1-8,11,16-17,21H,9-10,12H2,(H,20,22)/t16-,17+/m0/s1
• InChIKey: AGRXBJAQLCURPF-DLBZAZTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-3-{[(1R,2S)-2-phenylcyclopropyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-fluoroethyl)-3-{[(1R,2S)-2-phenylcyclopropyl]sulfamoyl}benzamide
• Synonyms: N-(2-fluoroethyl)-3-({[(1R*,2S*)-2-phenylcyclopropyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.871831
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0425837
• LogD (pH = 7.4): 2.0413043
• Log P: 2.0426002
• Molar Refractivity: 93.4657 cm^3
• Polarizability: 36.238983 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.22
• LOG S: -3.74
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 6