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

• ChemBase ID: 828330
• Molecular Formular: C17H21N3O3S2
• Molecular Mass: 379.49694
• Monoisotopic Mass: 379.10243355
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCCC2)ccc1)NCCc1nccs1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCCc1nccs1)NC1CCCC1
• InChI: InChI=1S/C17H21N3O3S2/c21-17(20-14-5-1-2-6-14)13-4-3-7-15(12-13)25(22,23)19-9-8-16-18-10-11-24-16/h3-4,7,10-12,14,19H,1-2,5-6,8-9H2,(H,20,21)
• InChIKey: QRKNWEWSTVICLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.882675
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9250162
• LogD (pH = 7.4): 1.9241471
• Log P: 1.925416
• Molar Refractivity: 97.3483 cm^3
• Polarizability: 38.02661 Å^3
• Polar Surface Area: 88.16 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: 2.7
• LOG S: -4.27
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6