N-methyl-4-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

• ChemBase ID: 530717
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2n[nH]c3c2CCCC3)C)cc1)N
• Canonical SMILES: CN(C(=O)c1ccc(cc1)S(=O)(=O)N)Cc1n[nH]c2c1CCCC2
• InChI: InChI=1S/C16H20N4O3S/c1-20(10-15-13-4-2-3-5-14(13)18-19-15)16(21)11-6-8-12(9-7-11)24(17,22)23/h6-9H,2-5,10H2,1H3,(H,18,19)(H2,17,22,23)
• InChIKey: QOWRRPVJVOJZEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-4-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.943133
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2036201
• LogD (pH = 7.4): 1.2026445
• Log P: 1.2037458
• Molar Refractivity: 92.3792 cm^3
• Polarizability: 35.051594 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: 0.56
• LOG S: -2.22
• Polar Surface Area: 109.15 Å^2
• Rotatable Bonds: 4