N-cyclohexyl-3-[(1,3-thiazol-2-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 419957
• Molecular Formular: C17H21N3O3S2
• Molecular Mass: 379.49694
• Monoisotopic Mass: 379.10243355
• SMILES: S(=O)(=O)(NCc1nccs1)c1cc(C(=O)NC2CCCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCc1nccs1)NC1CCCCC1
• InChI: InChI=1S/C17H21N3O3S2/c21-17(20-14-6-2-1-3-7-14)13-5-4-8-15(11-13)25(22,23)19-12-16-18-9-10-24-16/h4-5,8-11,14,19H,1-3,6-7,12H2,(H,20,21)
• InChIKey: VWMZYCFBWOBXBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.86181
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1327672
• LogD (pH = 7.4): 2.1316435
• Log P: 2.132972
• Molar Refractivity: 97.2499 cm^3
• Polarizability: 38.026733 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.1
• LOG S: -4.61
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 5