4-[(2-hydroxyethyl)sulfamoyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

• ChemBase ID: 358674
• Molecular Formular: C14H17N3O4S2
• Molecular Mass: 355.43248
• Monoisotopic Mass: 355.06604804
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2nccs2)C)cc1)NCCO
• Canonical SMILES: OCCNS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1nccs1)C
• InChI: InChI=1S/C14H17N3O4S2/c1-17(10-13-15-7-9-22-13)14(19)11-2-4-12(5-3-11)23(20,21)16-6-8-18/h2-5,7,9,16,18H,6,8,10H2,1H3
• InChIKey: ZYCXNNRVYZZXFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-hydroxyethyl)sulfamoyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-[(2-hydroxyethyl)sulfamoyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
• Synonyms: 4-{[(2-hydroxyethyl)amino]sulfonyl}-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.883844
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.13293412
• LogD (pH = 7.4): -0.13398758
• Log P: -0.13272458
• Molar Refractivity: 87.4247 cm^3
• Polarizability: 33.922577 Å^3
• Polar Surface Area: 99.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.04
• LOG S: -3.14
• Polar Surface Area: 99.6 Å^2
• Rotatable Bonds: 6