N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N-methyl-4-sulfamoylbenzamide

• ChemBase ID: 851586
• Molecular Formular: C15H18N4O3S
• Molecular Mass: 334.39342
• Monoisotopic Mass: 334.10996146
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2n[nH]c3c2CCC3)C)cc1)N
• Canonical SMILES: CN(C(=O)c1ccc(cc1)S(=O)(=O)N)Cc1n[nH]c2c1CCC2
• InChI: InChI=1S/C15H18N4O3S/c1-19(9-14-12-3-2-4-13(12)17-18-14)15(20)10-5-7-11(8-6-10)23(16,21)22/h5-8H,2-4,9H2,1H3,(H,17,18)(H2,16,21,22)
• InChIKey: UORICXHIWBEUHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N-methyl-4-sulfamoylbenzamide
• IUPAC Traditional name: N-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N-methyl-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.943133
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7590518
• LogD (pH = 7.4): 0.75807583
• Log P: 0.7591772
• Molar Refractivity: 87.7782 cm^3
• Polarizability: 33.220753 Å^3
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.01
• LOG S: -2.94
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 4